pyridoxal profile

pyridoxal is involved in 22 pathway(s), involving a total of 1887 unique proteins and 1939 unique compounds

ID Source	ID
PubMed CID	1050
CHEMBL ID	102970
CHEBI ID	17310
SCHEMBL ID	29906
MeSH ID	M0018240

Synonym
nsc 19613
einecs 200-630-8
brn 0383768
3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridincarbaldehyd
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde
CHEBI:17310 ,
aids006783
aids-006783
pyridoxaldehyde
nsc19613
4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl-
3-hydroxy-5-(hydroxymethyl)-2-methyl-pyridine-4-carbaldehyde
OPREA1_534980 ,
PYRIDOXAL ,
C00250
66-72-8
3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde
3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxaldehyde
DB00147
NCGC00142580-04
piridoxal
2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine
NCGC00142580-03
3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde
NCGC00142580-01
NCHEMBIO.93-COMP2 ,
849ADF16-456D-4BAB-A7EA-93A4C9D428AF
BMSE000110
4-pyridinecarboxaldehyde, 3-hydroxy-5-(hydroxymethyl)-2-methyl- (9ci)
CHEMBL102970
AKOS000634540
STL137770
BBL004877
5-21-13-00044 (beilstein handbook reference)
3thm379k8a ,
unii-3thm379k8a
tox21_111561
cas-66-72-8
dtxsid4046020 ,
dtxcid2026020
bdbm50366979
MLS003876810
smr002533344
6-methyl-1,3-dihydro-furo[3,4-c]pyridine-1,7-diol
pyridoxal [mi]
1,3-dihydro-6-methylfuro[3,4-c]pyridine-1,7-diol
pyridoxal [who-dd]
SCHEMBL29906
tox21_111561_1
NCGC00142580-05
3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde #
EX-A576
pyridocalx
GS-3388
Q3065731
Z56922082
D82489
EN300-24934
AS-83252
CS-0028583

Excerpt	Reference
"Pyridoxal is a poor coenzyme, but readily released from the enzyme."	( Esaki, N; Ito, J; Nishimura, K; Soda, K; Yoshimura, T, 1994)
"Pyridoxal 5'-phosphate is a competitive inhibitor of DNA substrate but not of ATP."	( Anai, M; Fujiyoshi, T; Nakayama, J; Takagi, Y, 1979)

Excerpt	Reference
"Pyridoxal has a role in immunological competence, and it is possible that the increased incidence of urinary tract infection in patients with diabetes reflects impaired immunological competence due to pyridoxal deficiency."	( Davis, RE; Goodwin, CS; McCann, VJ; Ormonde, NW, 1981)
"Pyridoxal has a role in immunological competence, and it is possible that the increased incidence of urinary tract infection in patients with diabetes reflects impaired immunological competence due to pyridoxal deficiency."	( Davis, RE; Goodwin, CS; McCann, VJ; Ormonde, NW, 1981)
"Pyridoxal kinase has been purified 2000-fold from pig brain. "	( Churchich, JE; Kwok, F, 1979)

Excerpt	Reference
"Pyridoxal levels were lower in schizophrenia and increased according to the clinical course of the illness."	( Arai, H; Hanzawa, R; Higa, M; Higashiyama, R; Hotta, Y; Katsuta, N; Maeshima, H; Nakamura, T; Nishimon, S; Ohnuma, T; Sannohe, T; Shibata, N; Takebayashi, Y; Takeda, M, 2014)

Excerpt	Reference
"Pretreatment with pyridoxal hydrochloride resulted in significantly higher corneal stiffening after CXL. "	( Brummer, G; Conrad, GW; Littlechild, S; McCall, S; Zhang, Y, 2011)

Role	Description
cofactor	An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
human metabolite	Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite	Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).
Escherichia coli metabolite	Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite	Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
vitamin B6	Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).
pyridinecarbaldehyde
methylpyridines	Any member of the class of pyridines that carries at least one methyl substituent.
monohydroxypyridine	A hydroxypyridine carrying a single hydroxy substituent.
hydroxymethylpyridine	Any member of the class of pyridines carrying a hydroxymethyl substituent at unspecified position.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Metabolism	1496	1108
Metabolism of vitamins and cofactors	146	155
Metabolism of water-soluble vitamins and cofactors	102	114
Vitamin B6 activation to pyridoxal phosphate	3	18
Vitamin B6 Metabolism	5	15
Hypophosphatasia	5	15
Vitamin B6	2	28
pyridoxal 5'-phosphate salvage II (plants)	3	19
pyridoxal 5'-phosphate salvage I	1	14
Vitamin B6 metabolism ( Vitamin B6 metabolism )	4	17
pyridoxal 5'-phosphate salvage	2	13
superpathway of b heme biosynthesis from glycine	10	46
vitamin B6 degradation	10	29
4-amino-2-methyl-5-diphosphomethylpyrimidine biosynthesis (yeast)	7	29
superpathway of bacteriochlorophyll a biosynthesis	22	70
pyridoxal 5'-phosphate salvage I	5	19
superpathway of pyridoxal 5'-phosphate biosynthesis and salvage	9	37
tetrapyrrole biosynthesis II (from glycine)	7	30
superpathway of thiamin diphosphate biosynthesis III (eukaryotes)	25	41
pyridoxal 5'-phosphate salvage pathway	4	14
4-amino-2-methyl-5-phosphomethylpyrimidine biosynthesis	12	29
pyridoxamine anabolism	0	8
Superpathway of pyridoxal 5'-phosphate biosynthesis and salvage	0	14
Vitamin B6-dependent and responsive disorders	2	19
Pyridoxal 5'-phosphate salvage pathway	1	12
Pyridoxamine anabolism	1	7

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE	Homo sapiens (human)	Potency	89.1251	0.0032	45.4673	12,589.2998	AID2517
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	31.6228	0.1778	14.3909	39.8107	AID2147
phosphopantetheinyl transferase	Bacillus subtilis	Potency	79.4328	0.1413	37.9142	100.0000	AID1490
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	31.6228	0.0112	12.4002	100.0000	AID1030
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	15.4871	0.0123	7.9835	43.2770	AID1645841
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	19.9526	0.0355	20.9770	89.1251	AID504332
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	14.1254	0.0018	15.6638	39.8107	AID894
heat shock protein beta-1	Homo sapiens (human)	Potency	14.9589	0.0420	27.3789	61.6448	AID743210
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	18.8322	0.0006	27.2152	1,122.0200	AID743202
geminin	Homo sapiens (human)	Potency	13.3359	0.0046	11.3741	33.4983	AID624297
DNA polymerase kappa isoform 1	Homo sapiens (human)	Potency	23.7781	0.0316	22.3146	100.0000	AID588579
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	31.6228	0.2512	15.8432	39.8107	AID504327
lamin isoform A-delta10	Homo sapiens (human)	Potency	31.6228	0.8913	12.0676	28.1838	AID1487
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Aldehyde oxidase	Homo sapiens (human)	Ki	30.0000	0.0009	0.4607	2.3000	AID34176
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Pyridoxal kinase	Homo sapiens (human)	Km	59.0000	5.0000	7.4500	9.9000	AID464423
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
pyridoxal 5'-phosphate salvage	Pyridoxal kinase	Homo sapiens (human)
pyridoxal metabolic process	Pyridoxal kinase	Homo sapiens (human)
pyridoxamine metabolic process	Pyridoxal kinase	Homo sapiens (human)
lipid metabolic process	Aldehyde oxidase	Homo sapiens (human)
xenobiotic metabolic process	Aldehyde oxidase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
magnesium ion binding	Pyridoxal kinase	Homo sapiens (human)
ATP binding	Pyridoxal kinase	Homo sapiens (human)
zinc ion binding	Pyridoxal kinase	Homo sapiens (human)
pyridoxal kinase activity	Pyridoxal kinase	Homo sapiens (human)
pyridoxal phosphate binding	Pyridoxal kinase	Homo sapiens (human)
potassium ion binding	Pyridoxal kinase	Homo sapiens (human)
sodium ion binding	Pyridoxal kinase	Homo sapiens (human)
lithium ion binding	Pyridoxal kinase	Homo sapiens (human)
protein homodimerization activity	Pyridoxal kinase	Homo sapiens (human)
aldehyde oxidase activity	Aldehyde oxidase	Homo sapiens (human)
iron ion binding	Aldehyde oxidase	Homo sapiens (human)
identical protein binding	Aldehyde oxidase	Homo sapiens (human)
protein homodimerization activity	Aldehyde oxidase	Homo sapiens (human)
molybdopterin cofactor binding	Aldehyde oxidase	Homo sapiens (human)
flavin adenine dinucleotide binding	Aldehyde oxidase	Homo sapiens (human)
NAD binding	Aldehyde oxidase	Homo sapiens (human)
2 iron, 2 sulfur cluster binding	Aldehyde oxidase	Homo sapiens (human)
FAD binding	Aldehyde oxidase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular region	Pyridoxal kinase	Homo sapiens (human)
nucleus	Pyridoxal kinase	Homo sapiens (human)
nucleoplasm	Pyridoxal kinase	Homo sapiens (human)
cytosol	Pyridoxal kinase	Homo sapiens (human)
secretory granule lumen	Pyridoxal kinase	Homo sapiens (human)
specific granule lumen	Pyridoxal kinase	Homo sapiens (human)
extracellular exosome	Pyridoxal kinase	Homo sapiens (human)
cytosol	Pyridoxal kinase	Homo sapiens (human)
cytosol	Aldehyde oxidase	Homo sapiens (human)
extracellular exosome	Aldehyde oxidase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID626545	Competitive inhibition of Cu2-amyloid beta (1 to 20) complex-induced DTBC oxidation by spectrophotometry	2011	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21	Vitamin B6s inhibit oxidative stress caused by Alzheimer's disease-related Cu(II)-β-amyloid complexes-cooperative action of phospho-moiety.
AID1755451	Drug excretion in human urine assessed as maximum urinary excretion of pyridoxic-acid at 3.36 mg, po	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.
AID464424	Lipophilicity, log P of the compound	2010	Journal of natural products, Jan, Volume: 73, Issue:1	Ginkgo biloba and ginkgotoxin.
AID1755449	Cmax in human at 3.36 mg, po measured for 7 days	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.
AID626546	Competitive inhibition of Cu2-amyloid beta (1 to 20) complex-induced THB oxidation by spectrophotometry	2011	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21	Vitamin B6s inhibit oxidative stress caused by Alzheimer's disease-related Cu(II)-β-amyloid complexes-cooperative action of phospho-moiety.
AID626547	Competitive inhibition of Cu2-amyloid beta (1 to 16) complex-induced DTBC oxidation by spectrophotometry	2011	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 21, Issue:21	Vitamin B6s inhibit oxidative stress caused by Alzheimer's disease-related Cu(II)-β-amyloid complexes-cooperative action of phospho-moiety.
AID1755450	Drug excretion in human assessed as time of maximum urinary excretion of pyridoxic-acid at 3.36 mg, po	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.
AID1755446	Drug metabolism in human assessed as pyridoxal-5-phosphate Cmax at 3.36 mg, po	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.
AID112595	Percent increase in life span of mice bearing L1210 ascites cells compared to control (in vivo)	1980	Journal of medicinal chemistry, Mar, Volume: 23, Issue:3	Cyclophosphamide potentiation and aldehyde oxidase inhibition by phosphorylated aldehydes and acetals.
AID34176	Tested for its ability to inhibit rabbit liver aldehyde oxidase catalyzed oxidation of N-methyl-nicotinamide (NMN)	1980	Journal of medicinal chemistry, Mar, Volume: 23, Issue:3	Cyclophosphamide potentiation and aldehyde oxidase inhibition by phosphorylated aldehydes and acetals.
AID124392	Percent animals surviving 50 days from day 1 (in vivo)	1980	Journal of medicinal chemistry, Mar, Volume: 23, Issue:3	Cyclophosphamide potentiation and aldehyde oxidase inhibition by phosphorylated aldehydes and acetals.
AID1755452	Drug excretion in human urine at 3.36 mg, po measured within 24 hrs	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.
AID1755448	Tmax in human at 3.36 mg, po	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.
AID1755447	Drug metabolism in human assessed as pyridoxal-5-phosphate Tmax at 3.36 mg, po	2020	Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23	Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.
AID464423	Activity at human PKH kinase expressed in Escherichia coli by affinity chromatography	2010	Journal of natural products, Jan, Volume: 73, Issue:1	Ginkgo biloba and ginkgotoxin.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	641 (58.38)	18.7374
1990's	145 (13.21)	18.2507
2000's	119 (10.84)	29.6817
2010's	122 (11.11)	24.3611
2020's	71 (6.47)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	14 (1.23%)	5.53%
Reviews	53 (4.65%)	6.00%
Case Studies	43 (3.78%)	4.05%
Observational	0 (0.00%)	0.25%
Other	1,029 (90.34%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (58)

Trial Overview

Trial	Phase	Enrollment	Study Type	Start Date	Status
PILOTSTUDIE ZUR PYRIDOXALPHOSPHATTHERAPIE BEI PATIENTEN MIT PRIMÄRER HYPEROXALURIE TYP I (PHOX-B6-PILOT) Pilot Trial on Treatment of Patients With Primary Hyperoxaluria Type I With Pyridoxal-phosphate[NCT01281878]	Phase 2	12 participants (Actual)	Interventional	2010-12-31	Completed
Renal Protective Effect and Clinical Analysis of Vitamin B6 in Patients With Sepsis[NCT06008223]		128 participants (Actual)	Interventional	2021-11-01	Completed
Folic Acid and B Vitamins for Secondary Prevention of Stroke : A Double-blinded Randomized Controlled Trial[NCT01317849]		0 participants (Actual)	Interventional	2011-07-31	Withdrawn(stopped due to financial assistance financial assistance financial assistance financial assistance financial assistance without financial assistance)
An Exploratory Single Blind Study of Ergoloid Mesylates, 5-Hydroxytryptophan, and the Combination in Adult Males With Fragile X Syndrome[NCT05030129]	Phase 2	15 participants (Actual)	Interventional	2021-10-07	Completed
StAT-TB (Statin Adjunctive Therapy for TB): A Phase 2b Dose-finding Study of Pravastatin in Adults With Tuberculosis[NCT03882177]	Phase 2	16 participants (Actual)	Interventional	2020-02-21	Completed
Effects of Vitamin Supplementation and Strength Training in Parkinson's Disease[NCT01238926]		40 participants (Anticipated)	Interventional	2008-05-31	Active, not recruiting
Vitamin B6 and Magnesium on Neurobehavioral Status of Autism Spectrum Disorder: A Randomized, Double-Blind, Placebo Controlled Study[NCT03963479]	Phase 2	50 participants (Anticipated)	Interventional	2019-01-01	Recruiting
Study of Pyridoxal 5'-Phosphate for the Treatment of Patients With PNPO Deficiency[NCT04706013]	Phase 3	15 participants (Anticipated)	Interventional	2024-01-31	Not yet recruiting
Pyridoxine, P2 Receptor Antagonism, and ATP-mediated Vasodilation in Young Adults[NCT03738943]	Early Phase 1	9 participants (Actual)	Interventional	2019-02-07	Completed
A Pilot Study of the Preoperative Misoprostol in Reducing Operative Blood Loss During Hysterectomy[NCT01199159]		77 participants (Actual)	Interventional	2007-01-31	Completed
Vitamin B6 Concentration and Treatment in Nausea and Vomiting of Pregnancy[NCT00763633]	Phase 4	150 participants (Anticipated)	Interventional	2008-01-31	Recruiting
A Randomized Trial to Determine if Vitamin B6 Can Prevent Hand and Foot Syndrome in Cancer Patients Treated With Capecitabine Chemotherapy[NCT00767689]		6 participants (Actual)	Interventional	2006-03-21	Terminated(stopped due to incomplete enrollment)
One-month Latent Tuberculosis Treatment for Renal Transplant Candidates[NCT05411744]	Phase 4	25 participants (Anticipated)	Interventional	2022-07-01	Recruiting
A Randomized Phase III Study of Vitamins B6 and B12 to Prevent Chemotherapy-Induced Neuropathy in Cancer Patients.[NCT00659269]	Phase 3	319 participants (Actual)	Interventional	2006-07-31	Completed
An Exploratory, Randomized, Blinded, Placebo-Controlled Trial of Folic Acid and L-methylfolate in Parkinson's Disease[NCT00853879]		150 participants (Actual)	Interventional	2006-12-31	Terminated
A Randomized, Double-Blind, Placebo-Controlled, Comparative Study to Evaluate the Safety and Efficacy of Pyridoxal 5' -Phosphate in the Treatment of Tardive Dyskinesia in Patients With Schizophrenia and Schizoaffective Disorders[NCT00917293]	Phase 2	53 participants (Actual)	Interventional	2009-05-31	Terminated(stopped due to modified formulation under investigation)
Uterine Fibroids Are a Very Common Finding in Women of Reproductive Age. Ready Safety Study Extracts of Plants Pregnenolone & Pyridoxal Phosphate for Treating Uterine Fibroids in Women of Reproductive Age and Women Pregnancy.[NCT04762316]		66 participants (Actual)	Interventional	2019-01-01	Completed
Effects of Vitamin D, Epigallocatechin Gallate, Vitamin B6, and D-Chiro-inositol Combination on Uterine Fibroids: a Randomized Controlled Trial[NCT05409872]		108 participants (Anticipated)	Interventional	2022-09-15	Recruiting
Restoration of Cutaneous Sensorum in Patients With Diabetic Peripheral Neuropathy (DPN) Via Metanx®[NCT00933998]		20 participants (Actual)	Interventional	2006-06-30	Completed
Evaluation of the Role of Pyridoxine Adjuvant Therapy on the Blood Glucose Level in Type 2 Diabetic Patients[NCT05918068]		108 participants (Actual)	Interventional	2022-11-01	Completed
Assesment of Vitamin B6 Level in Patients With Major Depressive Disorder[NCT05649293]		94 participants (Anticipated)	Observational	2023-04-01	Not yet recruiting
The Safety and Efficacy of a Compound Natural Health Product in Children With Attention Deficit/Hyperactivity Disorder: A Pilot Study[NCT00704990]	Phase 2/Phase 3	28 participants (Actual)	Interventional	2008-09-30	Completed
Vitamin B6 Supplementation and Mood States in College Women Taking Oral Contraceptives[NCT04070391]		8 participants (Actual)	Interventional	2019-01-01	Completed
Efficacy of the Association of Hyaluronic Acid With High Molecular Weight, α-lipoic Acid (ALA), Magnesium, Vitamin B6 and Vitamin D, in the Prevention of Spontaneous Abortion in Patients at Risk[NCT05449171]		100 participants (Anticipated)	Interventional	2022-09-01	Recruiting
A Double Blind Placebo Control Randomised Trial to Test the Effectiveness of Vitamin B6 in Hand Foot Syndrome[NCT02625415]		54 participants (Actual)	Interventional	2016-07-31	Completed
Protocol Comparing a Nutraceutical Formulation Consisting of Omega-3 Fatty Acids, Vitamin D, and Vitamins B6 Plus B12 Versus No Treatment in the Prevention or Reduction of Chemotherapy Induced Peripheral Neuropathy (CIPN) in Patients Treated With Docetaxe[NCT02795572]	Phase 2	13 participants (Actual)	Interventional	2017-06-27	Terminated(stopped due to Retirement of the Principal Investigator)
Interventional Testing of Gene-environment Interactions Via the Verifomics Mobile Application[NCT02758990]		16 participants (Actual)	Interventional	2016-03-31	Terminated(stopped due to Recruiting and financial constraints)
Phase III Clinical Trial of Ultra-Short-Course Rifapentine/Isoniazid for the Prevention of Active Tuberculosis in HIV-Infected Individuals With Latent Tuberculosis Infection[NCT01404312]	Phase 3	3,000 participants (Actual)	Interventional	2012-05-23	Completed
Chelation Therapy of Iron Overload With Oral Pyridoxal Isonicotinoyl Hydrazone[NCT00000588]	Phase 2	120 participants (Actual)	Interventional	1989-06-05	Completed
MEND-CABG II: A Randomized, Double-Blind, Placebo-Controlled, Multi-Center Study to Evaluate the Cardioprotective Effects of MC-1 in Patients Undergoing High-Risk CABG Surgery[NCT00402506]	Phase 3	3,000 participants (Anticipated)	Interventional	2006-11-30	Completed
[NCT01964001]	Phase 2/Phase 3	71 participants (Actual)	Interventional	2014-01-31	Completed
Vitamin B6 Effects on One-Carbon Metabolism[NCT01128244]	Phase 2/Phase 3	13 participants (Actual)	Interventional	2010-04-30	Completed
A Phase IIc Trial of Clofazimine- and Rifapentine-Containing Treatment Shortening Regimens in Drug-Susceptible Tuberculosis: The CLO-FAST Study[NCT04311502]	Phase 2	104 participants (Actual)	Interventional	2021-06-16	Active, not recruiting
The Early Bactericidal Activity of High-Dose or Standard-Dose Isoniazid Among Adult Participants With Isoniazid-Resistant or Drug-Sensitive Tuberculosis[NCT01936831]	Phase 2	282 participants (Actual)	Interventional	2014-08-13	Completed
[NCT01426490]	Phase 2/Phase 3	300 participants (Anticipated)	Interventional	2011-08-31	Recruiting
[NCT00706888]		64 participants (Anticipated)	Interventional		Completed
Oral Misoprostol Before Endometrial Biopsy[NCT00200226]	Phase 3	72 participants (Actual)	Interventional	2003-02-28	Completed
A Randomized, Double-Blind, Placebo-Controlled, Dose-Ranging, Multi-Center Study to Evaluate the Cardiovascular and Cerebrovascular Effects of MC-1 in Patients Undergoing High-Risk Coronary Artery Bypass Graft (CABG) Surgery[NCT00157716]	Phase 2	900 participants	Interventional	2004-04-30	Completed
Protecting Households On Exposure to Newly Diagnosed Index Multidrug-Resistant Tuberculosis Patients (PHOENIx MDR-TB)[NCT03568383]	Phase 3	5,610 participants (Anticipated)	Interventional	2019-06-03	Recruiting
HOPE-2 Study (Heart Outcomes Prevention Evaluation-2 Study)[NCT00106886]	Phase 4	5,000 participants	Interventional	1999-12-31	Active, not recruiting
B-Vitamin Atherosclerosis Intervention Trial (BVAIT)[NCT00114400]	Phase 2/Phase 3	506 participants	Interventional	2000-11-30	Completed
Evaluation of the Effects of MC-1 Alone and in Combination With an ACE Inhibitor on Ambulatory Blood Pressure and Metabolic Function in Hypertensive Patients With Type 2 Diabetes Mellitus[NCT00157729]	Phase 2	160 participants	Interventional	2004-08-31	Completed
High Dose Supplements to Reduce Homocysteine and Slow the Rate of Cognitive Decline in Alzheimer's Disease (Vitamins to Slow Alzheimer's - VITAL)[NCT00056225]	Phase 3	340 participants (Actual)	Interventional	2003-01-31	Completed
Short Course Low Dose Oral Colchicine After ST Elevation Myocardial Infarction(STEMI)[NCT06020300]	Phase 4	64 participants (Anticipated)	Interventional	2023-07-28	Recruiting
Randomized Trial of Homocysteine-lowering With B Vitamins for Secondary Prevention of Cardiovascular Disease After Acute Myocardial Infarction. The Norwegian Vitamin Trial (NORVIT)[NCT00266487]		3,750 participants	Interventional	1998-12-31	Completed
Implementation for Tuberculosis Preventive Therapy Among Latent Tuberculosis Infection in HIV-infected Individuals Using Novel Regimen of Isoniazid/Rifapentine Daily (4 Weeks) Compared to Isoniazid/Rifapentine Weekly (12 Weeks)[NCT03785106]	Phase 3	2,500 participants (Anticipated)	Interventional	2019-08-15	Recruiting
Cervical Ripening Before Endometrial Biopsy in Abnormal Uterine Bleeding (AUB) Using Sublingual Misoprostol 200 Mcg: A Randomized, Double Blind, Placebo-controlled Trial[NCT01762319]		52 participants (Anticipated)	Interventional	2012-11-30	Recruiting
A Phase I/II Trial of the Pharmacokinetics, Tolerability, and Safety of Once-Weekly Rifapentine and Isoniazid in HIV-1-infected and HIV-1-uninfected Pregnant and Postpartum Women With Latent Tuberculosis Infection[NCT02651259]	Phase 1/Phase 2	50 participants (Actual)	Interventional	2017-03-13	Completed
Randomized, Double-blind, Placebo Controlled, Multicenter Trial to Evaluate the Neuroprotective Effect of Vitamin B6 and Vitamin B12 Against Vincristine Induced Neurotoxicity in Acute Lymphoblastic Leukaemia Patients[NCT03593304]	Phase 2/Phase 3	40 participants (Actual)	Interventional	2018-03-29	Completed
Women's Antioxidant and Folic Acid Cardiovascular Study (WAFACS)[NCT00000541]	Phase 2	0 participants	Interventional	1993-05-31	Completed
A Randomised Double Blind Study of the Effects of Homocysteine Lowering Therapy on Mortality and Cardiac Events in Patients Undergoing Coronary Angiography[NCT00354081]	Phase 3	3,096 participants (Actual)	Interventional	1999-04-30	Completed
Combined Effect of Tryptophan Rich Diet and Acupuncture on Depression Related to Premenstrual Dysphoric Disorder[NCT05813366]		39 participants (Anticipated)	Interventional	2023-04-25	Not yet recruiting
The Use of Vitamin D in Combination With Epigallocatechin Gallate, D-chiro-inositol and Vitamin B6 in the Treatment of Women With Uterine Fibroid[NCT05448365]	Phase 3	60 participants (Anticipated)	Interventional	2022-07-01	Recruiting
The Neurobehavioral and Biochemical Effects of High Dose of Vitamin B6 With Magnesium in Children With Autism Spectrum Disorder: A Randomized, Double-Blind, Placebo Controlled Study[NCT04509401]		66 participants (Actual)	Interventional	2020-01-11	Completed
A Randomized, Double-blind, Placebo-controlled Clinical Trial to Assess the Efficacy and Safety of Magnesium Vitamin B6 in Combination With Treatment as Usual in First Episode of Bipolar I Disorder[NCT05837104]	Phase 2	40 participants (Anticipated)	Interventional	2023-12-13	Recruiting
Drug-Drug Interactions Between Rifapentine and Dolutegravir in HIV/LTBI Co-Infected Individuals[NCT04272242]	Phase 2	72 participants (Anticipated)	Interventional	2020-08-01	Suspended(stopped due to Following completion of Arm 1, A5372 is currently Temporarily Closed. Timeline for opening of Arm 2 is not available.)
The Effects of Vitamin B-6 and Glutathione on Inflammatory Responses, Homocysteine Metabolism, Oxidative Stress and Antioxidant Capacities in Patients With Liver Cirrhosis or Hepatocellular Carcinoma[NCT02321579]		25 participants (Anticipated)	Interventional	2014-12-31	Recruiting
A Pilot Study of the Effects of Vitamin B6 on Hot Flash Symptoms in Prostate Cancer Patients[NCT03580499]		40 participants (Actual)	Interventional	2018-09-13	Active, not recruiting
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Frequency of Grade 3 or Higher Adverse Events

Graded using the DAIDS table for Grading the Severity of Adult and Pediatric Adverse Events, Corrected Version 2.1, July 2017 (NCT03882177)
Timeframe: Measured through Day 30

Intervention	AEs Grade 3 or Higher (Number)
Arm 1: Pravastatin (40 mg) and Rifafour	8
Arm 2: Pravastatin (80 mg) and Rifafour	4

Number of Participants Who Permanently Discontinue Assigned Study Regimen for Any Reason

(Other than new recognition of participant ineligibility based on absence of M. tuberculosis growth in baseline sputum cultures, or growth of M. tuberculosis resistant to rifampin by GeneXpert) (NCT03882177)
Timeframe: Measured through Day 14

Intervention	Participants (Count of Participants)
Arm 1: Pravastatin (40 mg) and Rifafour	10
Arm 2: Pravastatin (80 mg) and Rifafour	6
Arm 3: Pravastatin (120 mg) and Rifafour	0
Arm 4: Pravastatin (160 mg) and Rifafour	0

Change in Neurotoxicity Assessment Between Cycle 4 and Baseline

Neurotoxicity is evaluated using The Functional Assessment of Cancer Therapy-Taxane (FACT-Tax) questionnaire. FACT-Tax is a validated, self-reported instrument. The questionnaire consists of 11 questions and possible scores for each question range from 0 (no neurotoxicity symptoms) to 4 (worst possible neurotoxicity symptoms). The total score for any patient can therefore range from 0 to 44. The questionnaire is given to patients to fill out at baseline, cycle 2, and cycle 4 of their chemotherapy treatment. Change in neurotoxicity scores from baseline to the completion of 4 cycles are reported as the mean total score for all patients. (NCT00659269)
Timeframe: 4 weeks

Intervention	units on a scale (Mean)
Taxane Group: Multivitamin (MV) Arm	7.0
Taxane Group: MV + Vitamin B12 + Vitamin B6	7.2
Heavy Metals Group: Multivitamin (MV) Arm	3.9
Heavy Metals Group: MV + Vitamin B12 + Vitamin B6 Arm	4.7
Vinca Alkaloids Group: Multivitamin (MV) Arm	11.8
Vinca Alkaloids Group: MV + Vitamin B12 + Vitamin B6 Arm	7

Neurotoxicity Assessment at Baseline

Neurotoxicity is evaluated using The Functional Assessment of Cancer Therapy-Taxane (FACT-Tax) questionnaire. FACT-Tax is a validated, self-reported instrument. The questionnaire consists of 11 questions and possible scores for each question range from 0 (no neurotoxicity symptoms) to 4 (worst possible neurotoxicity symptoms). The total score for any patient can therefore range from 0 to 44. The questionnaire is given to patients to fill out at baseline (prior to chemotherapy treatment) and the mean total score for all patients is reported. (NCT00659269)
Timeframe: At study start; prior to treatment (week 0)

Intervention	units on a scale (Mean)
Taxane Group: Multivitamin (MV) Arm	8.5
Taxane Group: MV + Vitamin B12 + Vitamin B6	7.3
Heavy Metals Group: Multivitamin (MV) Arm	5.23
Heavy Metals Group: MV + Vitamin B12 + Vitamin B6 Arm	4.58
Vinca Alkaloids Group: Multivitamin (MV) Arm	6.80
Vinca Alkaloids Group: MV + Vitamin B12 + Vitamin B6 Arm	2.08

Neurotoxicity Assessment at Cycle 2

Neurotoxicity is evaluated using The Functional Assessment of Cancer Therapy-Taxane (FACT-Tax) questionnaire. FACT-Tax is a validated, self-reported instrument. The questionnaire consists of 11 questions and possible scores for each question range from 0 (no neurotoxicity symptoms) to 4 (worst possible neurotoxicity symptoms). The total score for any patient can therefore range from 0 to 44. The questionnaire is given to patients to complete at completion of cycle 2 of chemotherapy treatment and the mean total score for all patients is reported. (NCT00659269)
Timeframe: 2 weeks

Intervention	units on a scale (Mean)
Taxane Group: Multivitamin (MV) Arm	13.0
Taxane Group: MV + Vitamin B12 + Vitamin B6	12.0
Heavy Metals Group: Multivitamin (MV) Arm	9.7
Heavy Metals Group: MV + Vitamin B12 + Vitamin B6 Arm	8.4
Vinca Alkaloids Group: Multivitamin (MV) Arm	14.56
Vinca Alkaloids Group: MV + Vitamin B12 + Vitamin B6 Arm	5.6

Neurotoxicity Assessment at Cycle 4

Neurotoxicity is evaluated using The Functional Assessment of Cancer Therapy-Taxane (FACT-Tax) questionnaire. FACT-Tax is a validated, self-reported instrument. The questionnaire consists of 16 questions and possible scores for each question range from 0 (no neurotoxicity symptoms) to 4 (worst possible neurotoxicity symptoms). The total score for any patient can therefore range from 0 to 44. The questionnaire is given to patients to fill out at completion of cycle 4 of their chemotherapy treatment and the mean total score for all patients is reported. (NCT00659269)
Timeframe: 4 weeks

Intervention	units on a scale (Mean)
Taxane Group: Multivitamin (MV) Arm	14.5
Multivitamin + Vitamin B12 + Vitamin B6	14.5
Heavy Metals Group: Multivitamin (MV) Arm	8.71
Heavy Metals Group: MV + Vitamin B12 + Vitamin B6 Arm	7.05
Vinca Alkaloids Group: Multivitamin (MV) Arm	17.5
Vinca Alkaloids Group: MV + Vitamin B12 + Vitamin B6 Arm	9.22

Incidence of First Diagnosis of Active Tuberculosis, Death Related to Tuberculosis, or Death From Unknown Cause

Incidence rate (events per 100 person-years) was estimated, and 95.1% confidence interval used to account for interim analysis of primary efficacy outcome. (NCT01404312)
Timeframe: From entry to occurrence of event, up to end of follow-up 3 years after last participant enrolled (median follow-up time: 3.3 years)

Intervention	Events per 100 person-years (Number)
RPT Plus INH Regimen (Arm A)	0.6506
INH Regimen (Arm B)	0.6736

Cumulative Incidence of Death Due to a Non-TB Event

Cumulative incidence function estimated nonparametrically, treating TB-related deaths as competing risks. (NCT01404312)
Timeframe: From entry to occurrence of event, up to end of follow-up 3 years after last participant enrolled (median follow-up time: 3.3 years)

Intervention	events per 100 participants (Number)
	Cumulative incidence by 1 year post-randomization	Cumulative incidence by 2 years post-randomization	Cumulative incidence by 3 years post-randomization	Cumulative incidence by 4 years post-randomization
INH Regimen (Arm B)	0.5	1.0	1.5	2.0
RPT Plus INH Regimen (Arm A)	0.3	0.4	0.9	1.6

Cumulative Incidence of Death From Any Cause

Data table estimates for percentage who died by each time point were estimated using Kaplan-Meier at 1, 2, 3, and 4 years post-entry. (NCT01404312)
Timeframe: From entry to occurrence of event, up to end of follow-up 3 years after last participant enrolled (median follow-up time: 3.3 years)

Intervention	events per 100 participants (Number)
	1 year post-entry	2 years post-entry	3 years post-entry	4 years post-entry
INH Regimen (Arm B)	0.63	1.15	1.62	2.29
RPT Plus INH Regimen (Arm A)	0.35	0.49	1.05	2.00

Efavirenz (EFV) Plasma Concentrations in Arm A

"Mean and standard deviation.~Week 16 samples have not yet been analyzed because the metabolite assay is being validated, and requires submission for approval by the Clinical Pharmacology Quality Assurance Program. Analysis of week 16 samples are anticipated to be available in September 2019." (NCT01404312)
Timeframe: Measured at Weeks 0, 2, 4, and 16

Intervention	nanograms per mL (Mean)
	Week 0	Week 2	Week 4
RPT Plus INH Regimen (Arm A)	3787	3870	4082

Nevirapine (NVP) Plasma Concentrations in Arm A

Mean and standard deviation (NCT01404312)
Timeframe: Measured at Weeks 0, 2, and 4

Intervention	nanograms per mL (Mean)
	Week0	Week 2	Week 4
RPT Plus INH Regimen (Arm A)	7573	6234	5797

Number of Participants With Antibiotic Resistance Among Mycobacterium Tuberculosis (MTB) Isolates in Participants Who Develop Active Tuberculosis

Among MTB-diagnosed participants who underwent drug-susceptibility testing, the number who had any resistance to a particular drug. (NCT01404312)
Timeframe: After TB diagnosis

Intervention	Participants (Count of Participants)
	Rifampin72268104		Rifampin72268105	Isoniazid72268104	Isoniazid72268105	Ethambutol72268104	Ethambutol72268105	Pyrazinamide72268104	Pyrazinamide72268105
	Developed Resistance	Did not Develop Resistance
RPT Plus INH Regimen (Arm A)	1
INH Regimen (Arm B)	1
RPT Plus INH Regimen (Arm A)	14
INH Regimen (Arm B)	11
RPT Plus INH Regimen (Arm A)	2
RPT Plus INH Regimen (Arm A)	12
RPT Plus INH Regimen (Arm A)	0
RPT Plus INH Regimen (Arm A)	7
INH Regimen (Arm B)	7
INH Regimen (Arm B)	0
RPT Plus INH Regimen (Arm A)	6
INH Regimen (Arm B)	6

Fasting Plasma Cystathionine Concentration

For all subjects, the concentration of plasma cystathionine in fasting blood samples taken before and after the supplementation period will provide a functional measure of vitamin B6 nutritional status. (NCT01128244)
Timeframe: Fasting blood samples will be taken at baseline and after 28 days of vitamin B6 supplementation.

Intervention	micromol/L (Mean)
	Baseline prior to vitamin supplementation	After 28-days of vitamin supplementation
Plasma Cystathionine Concentration	0.14	0.13

Fasting Plasma Pyridoxal Phosphate Concentration

For all subjects, the concentration of plasma pyridoxal phosphate in fasting blood samples taken before and after the supplementation period will provide a direct measure of vitamin B6 nutritional status. (NCT01128244)
Timeframe: Fasting blood samples will be taken at baseline and after 28 days of vitamin B6 supplementation.

Intervention	nmol/L (Mean)
	Baseline prior to vitamin supplementation	After 28-days of vitamin supplementation
Plasma Pyridoxal Phosphate Concentration	25.8	143

Flux of Homocysteine Remethylation From Serine-derived Carbon

Data from analysis of serine, methionine and leucine in the timed blood samples of all subjects will provide a measurement of the metabolic rate of homocysteine remethylation from serine-derived carbon before and after vitamin B6 supplementation. These flux values may be slightly higher than flux of total homocysteine remethylation in Outcome Measure 1 because of the small contribution of methionine salvage to the flux measured in Outcome Measure 2. (NCT01128244)
Timeframe: Blood samples will be taken prior to infusion and at 0, 0.5, 1, 1.5, 2, 2.5, 3, 4, 5, 6, 7.5, and 9h. Infusions will be conducted at baseline and after 28 days

Intervention	micromol/(kg x hr) (Mean)
	Baseline prior to vitamin supplementation	After 28-days of vitamin supplementation
Homocysteine Remethylation Flux From Serine	6.60	6.92

Plasma 3-hydroxykynurenine Concentration

For all subjects, analysis of blood samples before and after vitamin B6 supplementation will allow evaluation of discriminating biomarkers using targeted metabolite profile analysis of one-carbon metabolism and tryptophan catabolism constituents. Also, we will conduct exploratory evaluation and potential identification of new biomarkers using metabolomics analysis on subjects before and after vitamin B6 supplementation. (NCT01128244)
Timeframe: April, 2010 - June, 2014

Intervention	microl/L (Mean)
	Baseline prior to vitamin supplementation	After 28-days of vitamin supplementation
Secondary Analysis: Plasma 3-hydroxykynurenine Concentration	25.9	27.3

Total Remethylation of Homocysteine

Data from analysis of serine, methionine and leucine in the timed blood samples of all subjects will provide a measurement of the metabolic rate of total remethylation of homocysteine before and after vitamin B6 supplementation. (NCT01128244)
Timeframe: Blood samples will be taken prior to infusion and at 0, 0.5, 1, 1.5, 2, 2.5, 3, 4, 5, 6, 7.5, and 9h. Infusions will be conducted at baseline and after 28 days

Intervention	micromol/(kg x hr) (Mean)
	Baseline prior to vitamin supplementation	After 28-days of vitamin supplementation
Total Homocysteine Remethylation Flux	6.07	5.63

Daily Change in log10 Colony-forming Unit (CFU)

Negative daily change in log10 CFU indicate decreases in bacterial burden over the 7 day period. Defined as EBA0-7(CFU) = [Day 7 log10 CFU per mL - baseline log10 CFU per mL]/7. The baseline measure is the mean of the pre-entry visit and entry visit sputum colony counts. (NCT01936831)
Timeframe: Measured at baseline and Day 7

Intervention	log10 CFU per mL sputum per day (Mean)
Group 1: 5mg Cohort	-0.06
Group 1: 10mg Cohort	-0.18
Group 1: 15mg Cohort	-0.21
Group 2: 5mg Cohort	-0.15

Daily Change in Time to Positivity (TTP)

"The time to positivity (TTP) measures growth of mycobacterium tuberculosis using MGIT assay in hours. Higher values of daily change in TTP indicate greater decrease in bacterial burden over the 7 day period and is therefore better.~Daily change is defined as EBA0-7(TTP) = [Day 7 TTP - Baseline TTP]/7. Baseline is the mean of the pre-entry visit and entry visit TTPs." (NCT01936831)
Timeframe: Measured at baseline and Day 7

Intervention	hours per day (Mean)
Group 1: 5mg Cohort	3
Group 1: 10mg Cohort	8
Group 1: 15mg Cohort	10
Group 2: 5mg Cohort	10
Group 3: 15mg Cohort	2.0
Group 3: 20mg Cohort	4.6

INH PK Parameter Area Under the Concentration Time Curve (AUC 0-24 Hours)

AUC 0-24h defines area under the concentration-time curve over the period of 24 hours post-dose, estimated through non-compartmental methods using the linear trapezoidal rule. (NCT01936831)
Timeframe: Intensive INH PK samples collected on Day 6 of INH initiation at sample times pre-dose, 0.5h, 1h, 2h, 4h, 6h, 8h, 12h and 24h post-dose.

Intervention	ug*hr/mL (Median)
Group 1: 5mg Cohort	14.05
Group 1: 10mg Cohort	53.08
Group 1: 15mg Cohort	50.24
Group 2: 5mg Cohort	10.47
Group 3: 15mg Cohort	54.13
Group 3: 20mg Cohort	70.54

INH PK Parameter Maximum Plasma Concentration (Cmax)

Cmax defines maximum concentration observed over the 24 hours of the INH dosing interval. (NCT01936831)
Timeframe: Intensive INH PK samples collected on Day 6 of INH initiation at sample times pre-dose, 0.5h, 1h, 2h, 4h, 6h, 8h, 12h and 24h post-dose.

Intervention	ug/mL (Median)
Group 1: 5mg Cohort	5.26
Group 1: 10mg Cohort	10.4
Group 1: 15mg Cohort	15.1
Group 2: 5mg Cohort	4.55
Group 3: 15mg Cohort	15
Group 3: 20mg Cohort	22.15

INH PK Parameter Minimum Plasma Concentration (Cmin)

Cmin defines minimum concentration observed over the 24 hours of the INH dosing interval. (NCT01936831)
Timeframe: Intensive INH PK samples collected on Day 6 of INH initiation at sample times pre-dose, 0.5h, 1h, 2h, 4h, 6h, 8h, 12h and 24h post-dose.

Intervention	ug/mL (Median)
Group 1: 5mg Cohort	0.053
Group 1: 10mg Cohort	0.053
Group 1: 15mg Cohort	0.053
Group 2: 5mg Cohort	0.053
Group 3: 15mg Cohort	0.053
Group 3: 20mg Cohort	0.053

Number of Participants With Grade 2 or Higher Drug-related Adverse Clinical or Laboratory Events

Post-entry, all new diagnoses, signs/symptoms and laboratory events of ≥Grade 2 that were assessed by the site as drug related. The DAIDS AE Grading Table (V1.0) and EAE Manual (V2.0) were used. (NCT01936831)
Timeframe: Measured from entry through Day 21

Intervention	Participants (Count of Participants)
Group 1: 5mg Cohort	0
Group 1: 10mg Cohort	4
Group 1: 15mg Cohort	0
Group 2: 5mg Cohort	1
Group 3: 15mg Cohort	1
Group 3: 20mg Cohort	0

Proportions of Participants Estimated to Have a Drop in log10 CFU/mL at or Above 0.65 log10 CFU/mL.

Proportions of participants obtained through simulation using the estimated model who have a drop in log10 CFU/mL at or above the threshold of 0.65 log10 CFU/mL; 0.65 is half the drop in log10 CFU/mL observed in participants with DS-TB (Group 2) on day 7. A total of 10000 simulated pseudo-participants per arm were used based on data from the study participants. The NAT2 genotype distribution was based only on Group 1 and 2 participants since NAT2 genotype data was not available for Group 3. The simulations were run repeatedly. The point estimate of the proportion was based on the median proportion of the pseudo-individuals across the repeated simulations and the 90% confidence interval used the 5th and 95th percentiles of the proportion across the repeated simulations. (NCT01936831)
Timeframe: From baseline through day 7

Intervention	proportion of simulated participants (Median)
Group 1: 5mg Cohort	0.17
Group 1: 10mg Cohort	0.50
Group 1: 15mg Cohort	0.64
Group 2: 5mg Cohort	0.88
Group 3: 15mg Cohort	0.01
Group 3: 20mg Cohort	0.05

Daily Change in log10 CFU Measured by Early- (EBA0-2) and Late-phase (EBA2-7) Individual-based Parameter Estimates From Nonlinear Models

Negative daily change in log10 CFU indicate decreases in bacterial burden over the time period. The mean CFU are estimated using all values by fitting a biphasic regression models for each participant. The daily change for the first two days of treatment was calculated as EBA0-2 (CFU)= [Day 2 log10 CFU per mL - baseline log10 CFU per mL]/2. The daily change from day 2 to day 7 was calculated as EBA2-7 (CFU)= [Day 7 log10 CFU per mL - Day 2 log10 CFU per mL]/5. Baseline is the average of pre-entry and entry visits. (NCT01936831)
Timeframe: At baseline, day 2, and day 7

,,,

Intervention	log10 CFU per mL sputum per day (Mean)
	EBA(0-2)	EBA(2-7)
Group 1: 10mg Cohort	-0.17	-0.17
Group 1: 15mg Cohort	-0.13	-0.25
Group 1: 5mg Cohort	-0.23	-0.01
Group 2: 5mg Cohort	-0.41	-0.07

Daily Change in TTP Measured by Early- (EBA0-2) and Late-phase (EBA2-7) Individual-based Parameter Estimates From Nonlinear Models

The time to positivity (TTP) measures growth of mycobacterium tuberculosis using MGIT assay in hours. Higher values of daily change in TTP indicate greater decrease in bacterial burden over the time period and is therefore better. The mean log transformed TTP are estimated using all values by fitting a biphasic regression models for each participant. The daily change over the first two days of treatment is calculated as EBA0-2 (TTP)= [Day 2 TTP - baseline TTP]/2. The daily change from Day 2 to Day 7 is calculated as EBA2-7 (TTP)= [Day 7 TTP - Day 2 TTP]/5. Baseline is the average of pre-evaluation and entry visits. (NCT01936831)
Timeframe: At baseline, day 2, and day 7

,,,,,

Intervention	hours per day (Mean)
	EBA(0-2)	EBA(2-7)
Group 1: 10mg Cohort	11.03	5.45
Group 1: 15mg Cohort	7.35	12.01
Group 1: 5mg Cohort	7.78	1.77
Group 2: 5mg Cohort	22.39	5.09
Group 3: 15mg Cohort	2.91	2.69
Group 3: 20mg Cohort	-1.36	5.45

INH Minimum Inhibitory Concentration (MIC) Against M. Tuberculosis Isolates

MIC are determined by phenotypic drug susceptibility testing (DST) based on spot sputum collected at Step 1 Day 0. For group 3 participants shown, MIC was tested using Thermofisher Sensititre MYCOTB plates. (NCT01936831)
Timeframe: Day 0

Intervention	Participants (Count of Participants)
	0.03 μg/mL	0.06 μg/mL	0.12 μg/mL	0.25 μg/mL	0.5 μg/mL	1 μg/mL	2 μg/mL	4 μg/mL	>4 μg/mL
Step 1 Group 3 Version 3	1	0	0	0	0	1	4	9	3

Absorption (ka) of INH

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~• Estimated a single absorption rate constant (ka) for the whole population" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	hr-1 (Mean)
All Cohorts	1.74

Absorption Rate Constant (ka) for Rifapentine (RPT)

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption~Estimated the transit compartment rate constant (ktr), which is synonymous with the absorption constant (ka), for the whole population Note that the mean stated below is actually the value that is obtained from a population analysis and represents a population estimate" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	hr-1 (Mean)
All Cohorts	1.43

Clearance Relative to Bioavailability (CL/F) for Rifapentine (RPT) for Intensive and Sparse PK

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption~Calculated an average CL for all women in the 2nd trimester (cohort I) and all women in the 3rd trimester (cohort II)" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	L/hr (Mean)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	1.4
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	1.50

Clearance Relative to Bioavailability (CL/F) for Rifapentine (RPT)

"PK parameters from postpartum women were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption~Calculated an average CL for all post-partum individuals" (NCT02651259)
Timeframe: Data used in the population PK analysis for postpartum women included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	L/hr (Mean)
All Cohorts	1.64

Clearance Relative to Bioavailability (CLmet/F) for Desacetyl Rifapentine (Des-RPT)

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption and a separate compartment for metabolite formation~Estimated a single des-RPT CLmet/F for the whole population Note: that the mean stated below is actually the value that is obtained from a population analysis and represents a population estimate with the relative standard error" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	L/hr (Mean)
All Cohorts	2.82

Cord Blood Concentrations of Desacetyl Rifapentine (Des-RPT) Among Infants

Cord blood concentrations were summarized using using R (version 3.5.1). (NCT02651259)
Timeframe: at delivery (within 3 days of life for infants).

Intervention	mcg/mL (Mean)
All Cohorts	3.24

Cord Blood Concentrations of Rifapentine (RPT) Among Infants

Cord blood concentrations were summarized using using R (version 3.5.1). (NCT02651259)
Timeframe: at delivery - (within 3 days of life for infants)

Intervention	mcg/mL (Mean)
All Cohorts	2.97

Incidence of Related Serious Adverse Events (SAEs) in Pregnant and Postpartum Women Taking Once-weekly RPT + INH

At entry and follow-up, all lab results, sign and symptoms, and diagnoses were recorded. Also, during follow-up grade 2 events related to pregnancy complications, hepatotoxicity, hemorrhage, or peripheral neuropathy, and all grade 3 or events that resulted in discontinuation of study drug regimen, and that met criteria for EAE reporting would further be evaluated and recorded. The DAIDS Table for Grading Adult and Pediatric Adverse Events (V 2.0) and Expedited AE Manual (V 2.0) were used. (NCT02651259)
Timeframe: Measured from entry through participants' last study visit at 24 weeks after delivery

Intervention	Participants (Count of Participants)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	0
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	0

Number of Infants With Active TB up to 24 Weeks of Life

Based on site-specified confirmatory TB test. If women and infants were diagnosed with active TB during study they would be referred to local care for TB management and treatment. (NCT02651259)
Timeframe: Measured from birth through participants' last study visit at 24 weeks after delivery

Intervention	Participants (Count of Participants)
Cohort 1(Infants Born to Women Enrolled in Second Trimester)	0
Cohort 2 (Infants Born to Women Enrolled in Third Trimester)	0

Number of Mothers With Active TB up to 24 Weeks Postpartum

Based on site-specified confirmatory TB test. If women and infants were diagnosed with active TB during study they would be referred to local care for TB management and treatment. (NCT02651259)
Timeframe: Measured from study entry through participants' last study visit at 24 weeks after delivery

Intervention	Participants (Count of Participants)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	0
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	0

Number of Participants With Discontinuation of Study Drug Due to Intolerance (Tolerability of Study Drug Regimen - i.e., RPT, INH, and Pyridoxine)

At entry and follow-up, all lab results, sign and symptoms, and diagnoses will be recorded. Also, during follow-up grade 2 events related to pregnancy complications, hepatotoxicity, hemorrhage, or peripheral neuropathy, and all grade 3 or events that result in discontinuation of study drug regimen, and that meet criteria for EAE reporting will be further evaluated and recorded. The DAIDS Table for Grading Adult and Pediatric Adverse Events (V 2.0) and Expedited AE Manual (V 2.0) were used. (NCT02651259)
Timeframe: Measured from study entry through participants' last study visit at 24 weeks after delivery

Intervention	Participants (Count of Participants)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	0
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	0

Percentage of Participants With All AEs Leading to Permanent Discontinuation of Study Drug Regimen (i.e., RPT, INH, and Pyridoxine)

At entry and follow-up, all lab results, sign and symptoms, and diagnoses were recorded. Also, during follow-up grade 2 events related to pregnancy complications, hepatotoxicity, hemorrhage, or peripheral neuropathy, and all grade 3 or events that resulted in discontinuation of study drug regimen, and that met criteria for EAE reporting would further be evaluated and recorded. The DAIDS Table for Grading Adult and Pediatric Adverse Events (V 2.0) and Expedited AE Manual (V 2.0) were used. (NCT02651259)
Timeframe: Measured from study entry through participants' last study treatment dispensation (approximately for 12 weeks)

Intervention	percent of participants (Number)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	0
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	0

Percentage of Participants With All Grade 3 and 4 AEs

At entry and follow-up, all lab results, sign and symptoms, and diagnoses were recorded. Also, during follow-up grade 2 events related to pregnancy complications, hepatotoxicity, hemorrhage, or peripheral neuropathy, and all grade 3 or events that resulted in discontinuation of study drug regimen, and that met criteria for EAE reporting would further be evaluated and recorded. The DAIDS Table for Grading Adult and Pediatric Adverse Events (V 2.0) and Expedited AE Manual (V 2.0) were used. (NCT02651259)
Timeframe: Measured from study entry through participants' last study visit at 24 weeks after delivery

Intervention	percent of participants (Number)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	20
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	16

Percentage of Participants With All Serious AEs

At entry and follow-up, all lab results, sign and symptoms, and diagnoses were recorded. Also, during follow-up grade 2 events related to pregnancy complications, hepatotoxicity, hemorrhage, or peripheral neuropathy, and all grade 3 or events that resulted in discontinuation of study drug regimen, and that met criteria for EAE reporting would further be evaluated and recorded. The DAIDS Table for Grading Adult and Pediatric Adverse Events (V 2.0) and Expedited AE Manual (V 2.0) were used. (NCT02651259)
Timeframe: Measured from study entry through participants' last study visit at 24 weeks after delivery

Intervention	percent of participants (Number)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	8
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	12

Percentage of Participants With Grade 2 Adverse Events (AEs) Judged to be Related to Study Drug Regimen

At entry and follow-up, all lab results, sign and symptoms, and diagnoses were recorded. Also, during follow-up grade 2 events related to pregnancy complications, hepatotoxicity, hemorrhage, or peripheral neuropathy, and all grade 3 or events that resulted in discontinuation of study drug regimen, and that met criteria for EAE reporting would further be evaluated and recorded. The DAIDS Table for Grading Adult and Pediatric Adverse Events (V 2.0) and Expedited AE Manual (V 2.0) and were used. (NCT02651259)
Timeframe: Measured from study entry through participants' last study visit at 24 weeks after delivery

Intervention	percent of participants (Number)
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	4
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	0

Percentage of Participants With Related Serious Adverse Events (AEs) in Infants Born to Women Taking Once-weekly RPT + INH

At entry and follow-up, all lab results, sign and symptoms, and diagnoses were recorded. Also, during follow-up grade 2 events related to pregnancy complications, hepatotoxicity, hemorrhage, or peripheral neuropathy, and all grade 3 or events that resulted in discontinuation of study drug regimen, and that met criteria for EAE reporting would further be evaluated and recorded. The DAIDS Table for Grading Adult and Pediatric Adverse Events (V 2.0) and Expedited AE Manual (V 2.0) were used. (NCT02651259)
Timeframe: Measured from birth through infants' last study visit at 24 weeks after birth

Intervention	percent of participants (Number)
Cohort 1 (Infants Born to Women Enrolled in Second Trimester)	0
Cohort 2 (Infants Born to Women Enrolled in Third Trimester)	0

Plasma Concentrations of Desacetyl Rifapentine (Des-RPT) Among Infants

Plasma blood concentrations were summarized using using R (version 3.5.1). (NCT02651259)
Timeframe: at delivery - (within 3 days of life for infants).

Intervention	mcg/mL (Mean)
All Cohorts	5.31

Plasma Concentrations of Rifapentine (RPT) Among Infants

Plasma concentrations were summarized using using R (version 3.5.1). (NCT02651259)
Timeframe: at delivery - (within 3 days of life for infants).

Intervention	mcg/mL (Mean)
All Cohorts	2.47

Volume of Distribution of INH

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~• Estimated a single INH Vc/F for the whole population" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	L (Mean)
All Cohorts	107

Volume of Distribution Relative to Bioavailability (Vc/F) for Rifapentine (RPT)

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption~Estimated a single RPT Vc/F for for the whole population Note: that the mean stated below is actually the value that is obtained from a population analysis and represents a population estimate with the relative standard error" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	L (Mean)
All Cohorts	30.1

Area Under the Curve From 0 to 24 Hours (AUC0-24) for RPT and Area Under the Curve From 0 to 24 Hours (AUC0-24) for Des-RPT Pregnant Women in 2nd and 3rd Trimester

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption~Obtained AUC by model-based integration" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	hour*mg/L (Mean)
	AUC (0-24) for RPT	AUC (0-24) for des-RPT
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	424.7	158.7
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	406.8	153.7

Clearance (CL/F) of INH

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with 2 mixtures to characterize subpopulations based on acetylation status~Estimated a separate INH CL/F based on acetylation status (fast, slow)" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	L/hr (Mean)
	CL/F (slow acetylators)	CL/F (fast acetylators)
All Cohorts	8.98	32.7

Maximum Concentration (Cmax) for RPT Maximum Concentration (Cmax) for Des-RPT Pregnant Women in 2nd and 3rd Trimester

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption~Obtained Cmax by model-based estimation" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	mg/L (Mean)
	Cmax for RPT	Cmax for des-RPT
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	30.2	8.76
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	28.6	8.50

Maximum Concentration (Cmin) for RPT and Maximum Concentration (Cmin) for Des-RPT Pregnant Women in 2nd and 3rd Trimester

"PK parameters were determined from plasma concentration-time profiles using a nonlinear mixed effects model (version 7.4; ICON PLC, Dublin, Ireland).~Developed a 1 compartment PK model with transit compartments for oral absorption~Obtained Cmin by model-based estimation" (NCT02651259)
Timeframe: Data used in the population PK analysis included the intensive PK visit (pre-dose (t0) and 0.5, 1, 2. 4, 5, 8, 12, 24, 48, 72 hours post-dose) and sparse PK visit (1, 4, 24, 48 hours post-dose).

Intervention	mg/L (Mean)
	Cmin for RPT	Cmin for des-RPT
Cohort 1 (Pregnant Women Enrolled in the Second Trimester)	1.45	1.06
Cohort 2 (Pregnant Women Enrolled in the Third Trimester)	1.58	1.20

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
pyridoxamine	[no description available]	high	173	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	high	286	5	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	high	286	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-methoxymethylpyridoxine	[no description available]	medium	3	0	pyridines
pyridoxal phosphate	[no description available]	high	299	5	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxal phosphate	[no description available]	high	299	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine hydrochloride	[no description available]	medium	1	0	hydrochloride; vitamin B6
gossypol	[no description available]	medium	1	0
hydroxycitronellal	[no description available]	medium	1	0	tertiary alcohol	allergen; fragrance
tucaresol	[no description available]	medium	1	0
bw 12c79	[no description available]	medium	1	0
apogossypol	[no description available]	medium	1	0
cinnamaldehyde	[no description available]	medium	1	0	3-phenylprop-2-enal; cinnamaldehydes	antifungal agent; EC 4.3.1.24 (phenylalanine ammonia-lyase) inhibitor; flavouring agent; hypoglycemic agent; plant metabolite; sensitiser; vasodilator agent
demycarosylturimycin h	[no description available]	medium	1	0
alcaftadine	[no description available]	medium	1	0	aldehyde; imidazobenzazepine; piperidines; tertiary amino compound	anti-allergic agent; H1-receptor antagonist
pyridoxal isonicotinoyl hydrazone	[no description available]	medium	90	2
isoniazid	[no description available]	medium	105	3	carbohydrazide	antitubercular agent; drug allergen
phenyl acetate	[no description available]	medium	9	0	benzenes; phenyl acetates
beta-alanine	[no description available]	medium	2	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
cyanides	[no description available]	medium	5	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
pyridoxal thiosemicarbazone	[no description available]	medium	8	0
curcumin	[no description available]	medium	1	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
cobalt	[no description available]	medium	3	0	cobalt group element atom; metal allergen	micronutrient
methionine	[no description available]	medium	8	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
pyridoxic acid	[no description available]	high	57	2	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	human urinary metabolite; mouse metabolite
vitamin b 6	[no description available]	medium	96	1
molybdenum	[no description available]	medium	2	0	chromium group element atom	micronutrient
vanadium	[no description available]	medium	6	0	elemental vanadium; vanadium group element atom	micronutrient
homocysteine	[no description available]	medium	11	0	amino acid zwitterion; homocysteine; serine family amino acid	fundamental metabolite; mouse metabolite
cysteine	[no description available]	medium	21	0	cysteinium	fundamental metabolite
dimethyl sulfoxide	[no description available]	medium	6	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
hepes	[no description available]	medium	1	0	HEPES; organosulfonic acid
catechin	[no description available]	medium	2	0	catechin	antioxidant; plant metabolite
epigallocatechin gallate	[no description available]	medium	1	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
hydrogen sulfide	[no description available]	medium	4	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
pyrophosphate	[no description available]	medium	2	0	diphosphate ion
kainic acid	[no description available]	medium	1	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
serine	[no description available]	medium	18	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
casein kinase ii	[no description available]	medium	1	0
gallium	[no description available]	medium	7	0	boron group element atom
pyrroles	[no description available]	medium	2	0	pyrrole; secondary amine
proline	[no description available]	medium	3	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
delta-1-pyrroline-5-carboxylate	[no description available]	medium	1	0	1-pyrroline-5-carboxylate
nickel	[no description available]	medium	5	0	metal allergen; nickel group element atom	epitope; micronutrient
chloramphenicol	[no description available]	medium	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
methylene blue	[no description available]	medium	1	0	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
agmatine	[no description available]	medium	1	0	guanidines; primary amino compound	Escherichia coli metabolite; mouse metabolite
silver	[no description available]	medium	1	0	copper group element atom; elemental silver	Escherichia coli metabolite
gold	[no description available]	medium	2	0	copper group element atom; elemental gold
coenzyme a	[no description available]	medium	1	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
nad	[no description available]	medium	15	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
vitamin b 12	[no description available]	medium	19	2
aluminum	[no description available]	medium	7	0	boron group element atom; elemental aluminium; metal atom
tryptophan	[no description available]	medium	84	0	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
cystine	[no description available]	medium	6	0
pyridoxaloxime	[no description available]	medium	8	0
niacin	[no description available]	medium	4	1	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
riboflavin	[no description available]	medium	20	1	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
thiamine	[no description available]	medium	18	1	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
niacinamide	[no description available]	medium	10	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
pyridoxamine phosphate	[no description available]	high	27	0	aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
tyrosine	[no description available]	medium	5	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
5-hydroxytryptophan	[no description available]	medium	3	0	hydroxytryptophan	human metabolite; neurotransmitter
pipecolic acid	[no description available]	medium	1	0	piperidinemonocarboxylic acid
3-methoxytyrosine	[no description available]	medium	1	0	tyrosine derivative
carbohydrazide	[no description available]	medium	1	0	carbohydrazide; one-carbon compound
adipic dihydrazide	[no description available]	medium	1	0
succinic dihydrazide	[no description available]	medium	1	0
hydrazine	[no description available]	medium	12	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
agar	[no description available]	medium	5	0
lysine	[no description available]	medium	29	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
cadaverine	[no description available]	medium	5	0	alkane-alpha,omega-diamine	Daphnia magna metabolite; Escherichia coli metabolite; mouse metabolite; plant metabolite
4,6-dinitro-o-cresol	[no description available]	medium	1	0	dinitrophenol acaricide; hydroxytoluene; nitrotoluene	dinitrophenol insecticide; fungicide; herbicide
biotin	[no description available]	medium	8	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
thiamine pyrophosphate	[no description available]	medium	3	0	organic chloride salt; vitamin B1
selenium	[no description available]	medium	2	0	chalcogen; nonmetal atom	micronutrient
pyocyanine	[no description available]	medium	1	0	iminium betaine; phenazines	antibacterial agent; bacterial metabolite; biological pigment; virulence factor
glucuronic acid	[no description available]	medium	2	0	D-glucuronic acid	algal metabolite
domperidone	[no description available]	medium	1	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
bosentan anhydrous	[no description available]	medium	1	0	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
phosphine	[no description available]	medium	1	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
salicylaldehyde isonicotinoyl hydrazone	[no description available]	medium	7	0
ascorbic acid	[no description available]	medium	12	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
edetic acid	[no description available]	medium	8	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
manganese	[no description available]	medium	5	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
phosphorylethanolamine	[no description available]	medium	1	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
propionic acid	[no description available]	medium	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
rifampin	[no description available]	medium	2	0	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor
heme	[no description available]	medium	7	0
protoporphyrin ix	[no description available]	medium	2	0
arginine	[no description available]	medium	12	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
pentosidine	[no description available]	medium	4	0	imidazopyridine; non-proteinogenic L-alpha-amino acid	biomarker; cross-linking reagent
glucose, (beta-d)-isomer	[no description available]	medium	3	0	D-glucopyranose	epitope; mouse metabolite
pyridoxine 5-phosphate	[no description available]	medium	9	0	vitamin B6 phosphate	Escherichia coli metabolite; mouse metabolite
4-pyridoxic acid lactone	[no description available]	medium	4	0	furopyridine; lactone
acetylcysteine	[no description available]	medium	1	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
4-hydroxy-2-nonenal	[no description available]	medium	2	0	4-hydroxynon-2-enal; 4-hydroxynonenal
histidine	[no description available]	medium	13	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
carnosine	[no description available]	medium	1	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
deoxyguanosine	[no description available]	medium	3	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
folic acid	[no description available]	medium	23	1	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
8-hydroxy-2'-deoxyguanosine	[no description available]	medium	2	0	guanosines	biomarker
carbamylhydrazine	[no description available]	medium	3	0	carbohydrazide; monocarboxylic acid amide; one-carbon compound; ureas
sodium bisulfide	[no description available]	medium	2	0
cycloheximide	[no description available]	medium	4	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
pyruvaldehyde	[no description available]	medium	1	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
penicillamine	[no description available]	medium	10	0	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen
kynurenine	[no description available]	medium	7	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
neopterin	[no description available]	medium	2	0
phenacyl bromide	[no description available]	medium	1	0	acetophenones; alpha-bromoketone	metabolite
dicyclomine	[no description available]	medium	1	1	carboxylic ester; tertiary amine	antispasmodic drug; muscarinic antagonist; parasympatholytic
doxylamine	[no description available]	medium	2	2	pyridines; tertiary amine	anti-allergic agent; antiemetic; antitussive; cholinergic antagonist; H1-receptor antagonist; histamine antagonist; sedative
s-methylcysteine	[no description available]	medium	1	0	S-alkyl-L-cysteine zwitterion; S-alkyl-L-cysteine	human urinary metabolite; plant metabolite
mecysteine	[no description available]	medium	1	0	L-cysteinyl ester; primary amino compound; thiol	mucolytic
gamma-aminobutyric acid	[no description available]	medium	11	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
methanol	[no description available]	medium	4	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
tacrolimus	[no description available]	medium	2	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
glycine	[no description available]	medium	20	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
prolinol	[no description available]	medium	1	0
methyl nicotinate	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
dimethylglycine	[no description available]	medium	1	0	amino acid zwitterion; N-methyl-amino acid; N-methylglycines	Daphnia magna metabolite; human metabolite; mouse metabolite
choline	[no description available]	medium	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
sarcosine	[no description available]	medium	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
methylmalonic acid	[no description available]	medium	1	0	C4-dicarboxylic acid	human metabolite
1-(carboxymethylthio)tetradecane	[no description available]	medium	1	0	straight-chain fatty acid
uric acid	[no description available]	medium	2	1	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
d-alpha tocopherol	[no description available]	medium	1	1	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
norfloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
sulindac	[no description available]	medium	1	0	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent
raloxifene hydrochloride	[no description available]	medium	1	0	hydrochloride	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
alanine	[no description available]	medium	18	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
pyridoxal 5-thiophosphate	[no description available]	medium	1	0
pyridoxamine dihydrochloride	[no description available]	high	1	0	hydrochloride; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
trifluoroacetic acid	[no description available]	medium	1	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
pyridine-2-carboxaldehyde	[no description available]	medium	2	0	pyridinecarbaldehyde
salicylamide	[no description available]	medium	1	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
mannich bases	[no description available]	medium	1	0
acetophenone	[no description available]	medium	1	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
cellulose	[no description available]	medium	3	0	glycoside
mercury	[no description available]	medium	1	0	elemental mercury; zinc group element atom	neurotoxin
3-hydroxykynurenine	[no description available]	medium	1	0	hydroxykynurenine	human metabolite
xanthurenic acid	[no description available]	medium	2	0	dihydroxyquinoline; quinolinemonocarboxylic acid	animal metabolite; iron chelator; metabotropic glutamate receptor agonist; vesicular glutamate transport inhibitor
ruthenium	[no description available]	medium	1	0	iron group element atom; platinum group metal atom
albuterol	[no description available]	medium	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
benzoic acid	[no description available]	medium	1	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
5-deoxypyridoxal	[no description available]	medium	11	0
lactic acid	[no description available]	medium	2	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
labetalol	[no description available]	medium	1	0	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
taurine	[no description available]	medium	5	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
isoproterenol	[no description available]	medium	1	0	catechols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; sympathomimetic agent
melatonin	[no description available]	medium	1	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
idazoxan	[no description available]	medium	1	0	benzodioxine; imidazolines	alpha-adrenergic antagonist
propranolol	[no description available]	medium	1	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
glycogen	[no description available]	medium	3	0
doxylamine succinate	[no description available]	medium	1	1	organic molecular entity
adenosine monophosphate	[no description available]	medium	4	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
cytidine monophosphate	[no description available]	medium	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
ammonium hydroxide	[no description available]	medium	3	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
threonine	[no description available]	medium	5	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
pimagedine	[no description available]	medium	7	1	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
malondialdehyde	[no description available]	medium	3	0	dialdehyde	biomarker
oxaloacetic acid	[no description available]	medium	1	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
deferoxamine	[no description available]	medium	19	0	acyclic desferrioxamine	bacterial metabolite; ferroptosis inhibitor; iron chelator; siderophore
salicylaldehyde	[no description available]	medium	1	0	hydroxybenzaldehyde	nematicide; plant metabolite
benzaldehyde	[no description available]	medium	3	0	benzaldehydes	EC 3.1.1.3 (triacylglycerol lipase) inhibitor; EC 3.5.5.1 (nitrilase) inhibitor; flavouring agent; fragrance; odorant receptor agonist; plant metabolite
acetone	[no description available]	medium	3	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
methylamine	[no description available]	medium	1	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
mannitol	[no description available]	medium	2	0	mannitol	allergen; antiglaucoma drug; compatible osmolytes; Escherichia coli metabolite; food anticaking agent; food bulking agent; food humectant; food stabiliser; food thickening agent; hapten; metabolite; osmotic diuretic; sweetening agent
nadp	[no description available]	medium	6	0
sucrose	[no description available]	medium	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
styrene	[no description available]	medium	1	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
benzimidazole	[no description available]	medium	1	0	benzimidazole; polycyclic heteroarene
zeolites	[no description available]	medium	1	0
1,2-diaminobenzene	[no description available]	medium	1	0	phenylenediamine	hydrogen donor
hydroxylamine	[no description available]	medium	2	0	hydroxylamines	algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent
pyridoxal 5'-sulfate	[no description available]	medium	8	0
allicin	[no description available]	medium	1	0	botanical anti-fungal agent; sulfoxide	antibacterial agent
ribulose 5-phosphate	[no description available]	medium	1	0	ribulose 5-phosphate	mouse metabolite
methyl orange	[no description available]	medium	1	0
zinc oxide	[no description available]	medium	1	0	zinc molecular entity
guanosine triphosphate	[no description available]	medium	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
potassium phosphate	[no description available]	medium	1	0	inorganic phosphate salt; inorganic potassium salt
guanosine diphosphate	[no description available]	medium	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanylyl imidodiphosphate	[no description available]	medium	1	0	nucleoside triphosphate analogue
vitamin k 3	[no description available]	medium	2	0	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
lithium	[no description available]	medium	2	0	alkali metal atom
carbonates	[no description available]	medium	1	0	carbon oxoanion
acetaldehyde	[no description available]	medium	10	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
ferric citrate	[no description available]	medium	2	0	iron chelate	anti-anaemic agent; nutraceutical
nitrilotriacetic acid	[no description available]	medium	3	0	NTA; tricarboxylic acid	carcinogenic agent; nephrotoxic agent
hydroxyl radical	[no description available]	medium	6	0	oxygen hydride; oxygen radical; reactive oxygen species
fe(iii)-edta	[no description available]	medium	1	0	iron coordination entity
ferric nitrilotriacetate	[no description available]	medium	2	0	iron chelate	carcinogenic agent; mutagen
deoxyribose	[no description available]	medium	4	0	deoxypentose	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
adenosine diphosphate	[no description available]	medium	8	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
glutamic acid	[no description available]	medium	1	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
1-anilino-8-naphthalenesulfonate	[no description available]	medium	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
hydrogen	[no description available]	medium	5	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
carbamic acid	[no description available]	medium	1	0	carbon oxoacid; one-carbon compound; organonitrogen compound	Escherichia coli metabolite
carbamates	[no description available]	medium	1	0	amino-acid anion
methyl phenylglycine	[no description available]	medium	1	0
flavin-adenine dinucleotide	[no description available]	medium	2	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
flavin mononucleotide	[no description available]	medium	2	0
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
phosphoserine	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
tetrahydrozoline	[no description available]	medium	1	0	amino acid zwitterion; hydroxy-amino acid
phosphoric acid	[no description available]	medium	1	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
aminopropionitrile	[no description available]	medium	2	0	aminopropionitrile	antineoplastic agent; antirheumatic drug; collagen cross-linking inhibitor; plant metabolite
epsilon-pyridoxyllysine	[no description available]	medium	8	0
thiazoles	[no description available]	medium	5	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
fumarates	[no description available]	medium	1	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
triazoles	[no description available]	medium	2	0	1,2,3-triazole
3-cyanoalanine	[no description available]	medium	1	0	alanine derivative; aliphatic nitrile; non-proteinogenic alpha-amino acid
methyldopa	[no description available]	medium	1	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
leucine	[no description available]	medium	8	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
azides	[no description available]	medium	3	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
arginine vasopressin	[no description available]	medium	1	0	vasopressin	cardiovascular drug; hematologic agent; mitogen
pituitrin	[no description available]	medium	1	0
buthionine sulfoximine	[no description available]	medium	1	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
ferrozine	[no description available]	medium	1	0
mocetinostat	[no description available]	medium	2	0	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
pyridine	[no description available]	medium	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
lactose	[no description available]	medium	1	0	lactose
methacrylic acid	[no description available]	medium	1	0	alpha,beta-unsaturated monocarboxylic acid
ethylene dimethacrylate	[no description available]	medium	1	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
phenylalanine	[no description available]	medium	10	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid	algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
phenylpyruvic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
2-keto-4-methylthiobutyric acid	[no description available]	medium	1	0	omega-(methylthio)-2-oxocarboxylic acid
asparagine	[no description available]	medium	4	0	amino acid zwitterion; asparagine; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
glutamine	[no description available]	medium	5	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
aspartate-beta-hydroxamate	[no description available]	medium	1	0
methionine methyl ester	[no description available]	medium	1	0
daunorubicin	[no description available]	medium	4	0	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite
deferasirox	[no description available]	medium	1	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
deferiprone	[no description available]	medium	4	0	4-pyridones	iron chelator; protective agent
cyc 202	[no description available]	medium	1	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
n(1)-acetylspermidine	[no description available]	medium	1	0	acetylspermidine	Escherichia coli metabolite; metabolite
spermidine	[no description available]	medium	3	0	polyazaalkane; triamine	autophagy inducer; fundamental metabolite; geroprotector
putrescine	[no description available]	medium	5	0	alkane-alpha,omega-diamine	antioxidant; fundamental metabolite
glycolipids	[no description available]	medium	1	0
phosphatidylcholines	[no description available]	medium	1	0	1,2-diacyl-sn-glycero-3-phosphocholine
razoxane	[no description available]	medium	2	0	N-alkylpiperazine
fenton's reagent	[no description available]	medium	2	0
sulfur	[no description available]	medium	4	0	chalcogen; nonmetal atom	macronutrient
copper sulfate	[no description available]	medium	2	0	metal sulfate	emetic; fertilizer; sensitiser
3-aminopyridine-2-carboxaldehyde thiosemicarbazone	[no description available]	medium	1	0
2-pyridylcarboxaldehyde isonicotinoylhydrazone	[no description available]	medium	1	0
cystathionine	[no description available]	medium	3	0	cysteine derivative
thiamine monophosphate	[no description available]	medium	1	0	organic chloride salt; vitamin B1
deuterium	[no description available]	medium	7	0	dihydrogen
phenylglyoxylic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid	biomarker; human xenobiotic metabolite
glycine methyl ester	[no description available]	medium	1	0	glycinyl ester	metabolite
technetium	[no description available]	medium	98	2	manganese group element atom
pyridoxal(5')diphospho(1)-glucose	[no description available]	medium	1	0
1-deoxygluco-heptulose 2-phosphate	[no description available]	medium	2	0
aspartic acid	[no description available]	medium	10	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
o-phthalaldehyde	[no description available]	medium	1	0	benzaldehydes; dialdehyde	epitope
hydroxyproline	[no description available]	medium	3	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
3-hydroxypyridine	[no description available]	medium	2	0	monohydroxypyridine
theophylline	[no description available]	medium	5	1	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
aspirin	[no description available]	medium	2	0	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent
1-methyl-3-isobutylxanthine	[no description available]	medium	1	0	3-isobutyl-1-methylxanthine
isoleucine	[no description available]	medium	22	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
sodium borohydride	[no description available]	medium	6	0	inorganic sodium salt; metal tetrahydridoborate
4-deoxypyridoxine	[no description available]	medium	5	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite
4-deoxypyridoxine	[no description available]	medium	5	1	hydroxymethylpyridine; methylpyridines; monohydroxypyridine	metabolite
methyl acetimidate	[no description available]	medium	1	0
dimethyl adipimidate	[no description available]	medium	1	0
butylurea	[no description available]	medium	1	0
carbamyl phosphate	[no description available]	medium	1	0	acyl monophosphate; one-carbon compound	Escherichia coli metabolite; mouse metabolite
cetiedil	[no description available]	medium	1	0	azepanes
cystamine	[no description available]	medium	2	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
glyceraldehyde	[no description available]	medium	4	0	aldotriose	fundamental metabolite
urea	[no description available]	medium	4	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
mechlorethamine	[no description available]	medium	1	0	nitrogen mustard; organochlorine compound	alkylating agent
potassium cyanate	[no description available]	medium	1	0	cyanate salt; one-carbon compound	herbicide
cyanates	[no description available]	medium	1	0
bis(3,5-dibromosalicyl)fumarate	[no description available]	medium	1	0
formaldehyde	[no description available]	medium	1	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
tungstic(vi) acid	[no description available]	medium	1	0	tungsten coordination entity
tungsten	[no description available]	medium	1	0	chromium group element atom	micronutrient
vanadates	[no description available]	medium	1	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
aminocaproic acid	[no description available]	medium	1	0	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
phytic acid	[no description available]	medium	7	0	inositol phosphate
2,2'-dipyridyl	[no description available]	medium	3	0	bipyridine	chelator; ferroptosis inhibitor
1,10-phenanthroline	[no description available]	medium	1	0	phenanthroline	EC 2.7.1.1 (hexokinase) inhibitor; EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,7-phenanthroline	[no description available]	medium	2	0	phenanthroline
sulfobromophthalein	[no description available]	medium	2	0	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
technetium tc 99m mebrofenin	[no description available]	medium	2	0
reserpine	[no description available]	medium	1	0	alkaloid ester; methyl ester; yohimban alkaloid	adrenergic uptake inhibitor; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; first generation antipsychotic; plant metabolite; xenobiotic
levodopa	[no description available]	medium	1	0	amino acid zwitterion; dopa; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	allelochemical; antidyskinesia agent; antiparkinson drug; dopaminergic agent; hapten; human metabolite; mouse metabolite; neurotoxin; plant growth retardant; plant metabolite; prodrug
2-(4-pyridyl)thiazolidine-4-carboxylic acid	[no description available]	medium	1	0
thiazolidines	[no description available]	medium	1	0	thiazolidine
thymidine	[no description available]	medium	7	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
uridine	[no description available]	medium	2	0	uridines	drug metabolite; fundamental metabolite; human metabolite
transferrin	[no description available]	medium	24	0
bromotrimethylammoniobimane	[no description available]	medium	1	0
caloreen	[no description available]	medium	1	0
s-benzylcysteine	[no description available]	medium	1	0
cetyltrimethylammonium ion	[no description available]	medium	1	0	quaternary ammonium ion
pyridoxylideneglutamate	[no description available]	medium	16	1
levonorgestrel	[no description available]	medium	1	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive
norgestrel	[no description available]	medium	2	0
ethinyl estradiol	[no description available]	medium	3	0	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
4-aminobenzoic acid	[no description available]	medium	2	0	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
pantothenic acid	[no description available]	medium	3	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
ethylmaleimide	[no description available]	medium	7	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
p-chloromercuribenzoic acid	[no description available]	medium	1	0	chlorine molecular entity; mercuribenzoic acid
technetium tc 99m lidofenin	[no description available]	medium	3	0
technetium tc 99m disofenin	[no description available]	medium	1	0
phosphorus	[no description available]	medium	3	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
azauracil	[no description available]	medium	1	0	1,2,4-triazines; nucleobase analogue	antimetabolite
piperidines	[no description available]	medium	1	0
adenine	[no description available]	medium	2	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
uracil	[no description available]	medium	1	0	pyrimidine nucleobase; pyrimidone	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; prodrug; Saccharomyces cerevisiae metabolite
halofuginone	[no description available]	medium	1	0	quinazolines
quinazolines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
5-deazariboflavin	[no description available]	medium	1	0
histamine	[no description available]	medium	5	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
pyridinoline	[no description available]	medium	1	0	organonitrogen compound; organooxygen compound
cefazolin	[no description available]	medium	1	0	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug
tin	[no description available]	medium	5	0	carbon group element atom; elemental tin; metal atom	micronutrient
triamcinolone acetonide	[no description available]	medium	3	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug
dithiothreitol	[no description available]	medium	3	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
dactinomycin	[no description available]	medium	1	0	actinomycin	mutagen
bilirubin	[no description available]	medium	2	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
ether	[no description available]	medium	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
sodium oxybate	[no description available]	medium	1	0
gallium nitrate	[no description available]	medium	2	0
guanidine	[no description available]	medium	2	0	carboxamidine; guanidines; one-carbon compound
tetranitromethane	[no description available]	medium	2	0	organonitrogen compound
diacetyl	[no description available]	medium	1	0	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
diethyl pyrocarbonate	[no description available]	medium	1	0	acyclic carboxylic anhydride
technetium tc 99m medronate	[no description available]	medium	1	0
technetium tc 99m pentetate	[no description available]	medium	3	0
nifedipine	[no description available]	medium	1	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
bay-k-8644	[no description available]	medium	1	0	(trifluoromethyl)benzenes; C-nitro compound; dihydropyridine; methyl ester
pentetic acid	[no description available]	medium	3	0	pentacarboxylic acid	copper chelator
captopril	[no description available]	medium	1	0	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
hexylamine	[no description available]	medium	1	0	primary aliphatic amine	metabolite
deoxyglucose	[no description available]	medium	1	0
fluorodeoxyglucose f18	[no description available]	medium	1	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
sodium pertechnetate tc 99m	[no description available]	medium	1	0
potassium cyanide	[no description available]	medium	1	0	cyanide salt; one-carbon compound; potassium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; neurotoxin
6-fluoropyridoxal	[no description available]	medium	7	0
boranes	[no description available]	medium	1	0	boranes; mononuclear parent hydride
mifepristone	[no description available]	medium	1	0	3-oxo-Delta(4) steroid; acetylenic compound; tertiary amino compound	abortifacient; contraceptive drug; hormone antagonist; synthetic oral contraceptive
cortodoxone	[no description available]	medium	1	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
imidazole	[no description available]	medium	1	0	imidazole
ammonium chloride	[no description available]	medium	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
sphingosine	[no description available]	medium	1	0	sphing-4-enine	human metabolite; mouse metabolite
ethinyl estradiol-norgestrel combination	[no description available]	medium	1	0
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
toxopyrimidine	[no description available]	medium	2	0	aminopyrimidine; aromatic primary alcohol	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
fluorine	[no description available]	medium	5	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
organophosphonates	[no description available]	medium	3	0	divalent inorganic anion; phosphite ion
2-naphthol	[no description available]	medium	4	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
salicylaldehyde benzoyl hydrazone	[no description available]	medium	2	0
uridine diphosphate	[no description available]	medium	1	0	pyrimidine ribonucleoside 5'-diphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
uridine diphosphopyridoxal	[no description available]	medium	1	0
pyridoxal 5'-diphospho-5'-adenosine	[no description available]	medium	4	0
progabide	[no description available]	medium	1	0	diarylmethane
thiamphenicol glycinate	[no description available]	medium	1	0	alpha-amino acid ester
thiamphenicol	[no description available]	medium	1	0	monocarboxylic acid amide; sulfone	antimicrobial agent; immunosuppressive agent
muzolimine	[no description available]	medium	1	0	dichlorobenzene
1-amino-1,3-dicarboxycyclopentane	[no description available]	medium	1	0
cycloleucine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
alpha-methyl-4-carboxyphenylglycine	[no description available]	medium	1	0	non-proteinogenic alpha-amino acid	metabotropic glutamate receptor antagonist
3,5-dihydroxyphenylglycine	[no description available]	medium	1	0	alpha-amino acid
2-(2,3-dicarboxycyclopropyl)glycine	[no description available]	medium	1	0
adenosine tetraphosphopyridoxal	[no description available]	medium	6	0
gallium citrate	[no description available]	medium	1	0
allopurinol	[no description available]	medium	1	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
hypoxanthine	[no description available]	medium	1	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
5,5-dimethyl-1-pyrroline-1-oxide	[no description available]	medium	1	0	1-pyrroline nitrones	neuroprotective agent; spin trapping reagent
2-hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone	[no description available]	medium	1	0
perylene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene; perylenes
singlet oxygen	[no description available]	medium	1	0	chalcogen; monoatomic oxygen; nonmetal atom	macronutrient
cercosporin	[no description available]	medium	1	0
acetonitrile	[no description available]	medium	1	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
phenylhydrazine	[no description available]	medium	2	0	phenylhydrazines	xenobiotic
hydroxyurea	[no description available]	medium	1	0	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent
s-adenosylhomocysteine	[no description available]	medium	1	0	adenosines; amino acid zwitterion; homocysteine derivative; homocysteines; organic sulfide	cofactor; EC 2.1.1.72 [site-specific DNA-methyltransferase (adenine-specific)] inhibitor; EC 2.1.1.79 (cyclopropane-fatty-acyl-phospholipid synthase) inhibitor; epitope; fundamental metabolite
s-adenosylmethionine	[no description available]	medium	1	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
vigabatrin	[no description available]	medium	1	0	gamma-amino acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
fluoromethyl 2,2-difluoro-1-(trifluoromethyl)vinyl ether	[no description available]	medium	1	0	organofluorine compound
aminooxyacetic acid	[no description available]	medium	2	0	amino acid; hydroxylamines; monocarboxylic acid	anticonvulsant; EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; nootropic agent
toluene	[no description available]	medium	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
2-amino-4-methoxy-3-butenoic acid	[no description available]	medium	2	0
tromethamine	[no description available]	medium	2	0	primary amino compound; triol	buffer
dithionitrobenzoic acid	[no description available]	medium	3	0	nitrobenzoic acid; organic disulfide	indicator
ribose	[no description available]	medium	3	0	D-ribose; ribopyranose
octopamine	[no description available]	medium	1	0	phenylethanolamines; tyramines	neurotransmitter
dinitrofluorobenzene	[no description available]	medium	1	0	C-nitro compound; organofluorine compound	agrochemical; allergen; chromatographic reagent; EC 2.7.3.2 (creatine kinase) inhibitor; protein-sequencing agent; spectrophotometric reagent
spermine	[no description available]	medium	2	0	polyazaalkane; tetramine	antioxidant; fundamental metabolite; immunosuppressive agent
chlorine	[no description available]	medium	4	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
thioctic acid	[no description available]	medium	1	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
alpha-chymotrypsin	[no description available]	medium	5	0
cycloserine	[no description available]	medium	2	0	4-amino-1,2-oxazolidin-3-one; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic; zwitterion	antiinfective agent; antimetabolite; antitubercular agent; metabolite; NMDA receptor agonist
vinylglycine	[no description available]	medium	2	0	glycine derivative; L-alpha-amino acid zwitterion; non-proteinogenic L-alpha-amino acid	EC 4.4.1.14 (1-aminocyclopropane-1-carboxylate synthase) inhibitor
lidocaine	[no description available]	medium	3	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
n-vinyl-2-pyrrolidinone	[no description available]	medium	1	0	pyrrolidin-2-ones
acid phosphatase	[no description available]	medium	1	0
bromocriptine	[no description available]	medium	1	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
chlorpromazine	[no description available]	medium	1	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
valine	[no description available]	medium	4	0	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
muramidase	[no description available]	medium	1	0
homoserine	[no description available]	medium	3	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
sodium glutamate	[no description available]	medium	2	0	monosodium glutamate	flavouring agent
beta-aminoethyl isothiourea	[no description available]	medium	1	0
amphetamine	[no description available]	medium	1	0	primary amine
acetylene	[no description available]	medium	1	0	alkyne; gas molecular entity; terminal acetylenic compound
fluorides	[no description available]	medium	2	0	halide anion; monoatomic fluorine
iodine	[no description available]	medium	2	0	halide anion; monoatomic iodine	human metabolite
bromide	[no description available]	medium	1	0	halide anion; monoatomic bromine
cyanogen bromide	[no description available]	medium	3	0
adenosine	[no description available]	medium	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
europium	[no description available]	medium	3	0	f-block element atom; lanthanoid atom
cytosine	[no description available]	medium	1	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dehydroalanine	[no description available]	medium	1	0	2,3-dehydroamino acid; alpha,beta-unsaturated monocarboxylic acid; amino acid zwitterion; enamine; non-proteinogenic alpha-amino acid	alkylating agent; human metabolite; mouse metabolite
crimidine	[no description available]	medium	1	0	organohalogen compound; pyrimidines
n(1)-methylnicotinamide	[no description available]	medium	1	0	pyridinium ion	algal metabolite; anti-inflammatory agent; human urinary metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
durapatite	[no description available]	medium	1	0
thiosemicarbazide	[no description available]	medium	1	0	hydrazines; thiocarboxamide; thioureas
glucagon	[no description available]	medium	1	0	peptide hormone
sodium sulfite	[no description available]	medium	1	0	inorganic sodium salt; sulfite salt	food preservative; reducing agent
sulfites	[no description available]	medium	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
cinnarizine	[no description available]	medium	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
hydralazine	[no description available]	medium	1	0	azaarene; hydrazines; ortho-fused heteroarene; phthalazines	antihypertensive agent; vasodilator agent
verapamil	[no description available]	medium	1	0	aromatic ether; nitrile; polyether; tertiary amino compound
cysteamine	[no description available]	medium	1	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
dodecylamine	[no description available]	medium	1	0	primary aliphatic amine
paraquat	[no description available]	medium	1	0	organic cation	geroprotector; herbicide
palladium	[no description available]	medium	1	0	metal allergen; nickel group element atom; platinum group metal atom
4-anisaldehyde	[no description available]	medium	1	0	benzaldehydes	bacterial metabolite; human urinary metabolite; insect repellent; plant metabolite
vanillin	[no description available]	medium	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
vanillic acid	[no description available]	medium	1	0	methoxybenzoic acid; monohydroxybenzoic acid	plant metabolite
pqq cofactor	[no description available]	medium	2	0	orthoquinones; pyrroloquinoline cofactor; tricarboxylic acid	anti-inflammatory agent; antioxidant; cofactor; water-soluble vitamin (role)
carbostyril	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
4-benzoylbenzoic acid	[no description available]	medium	1	0
methionine sulfoximine	[no description available]	medium	1	0	methionine derivative; non-proteinogenic alpha-amino acid; sulfoximide
mercaptoethanol	[no description available]	medium	1	0	alkanethiol; primary alcohol	geroprotector
canavanine	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	phytogenic insecticide; plant metabolite
hydroxyguanidine	[no description available]	medium	1	0	guanidines; one-carbon compound	antineoplastic agent; antiviral agent
pyridoxal 4-methoxybenzoyl hydrazone	[no description available]	medium	1	0
concanavalin a	[no description available]	medium	1	0
ceruletide	[no description available]	medium	1	0	oligopeptide	diagnostic agent; gastrointestinal drug
adenosine triphosphopyridoxal	[no description available]	medium	3	0
citric acid, anhydrous	[no description available]	medium	1	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
caseins	[no description available]	medium	1	0
sepharose	[no description available]	medium	1	0
potassium chloride	[no description available]	medium	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
glycidyl nitrate	[no description available]	medium	1	0
2,6-anhydro-1-deoxygluco-hept-1-enitol	[no description available]	medium	1	0
phosphoric acid, trisodium salt	[no description available]	medium	1	0	sodium phosphate
s-pentachlorobuta-1,3-dien-yl-cysteine	[no description available]	medium	1	0
hexachlorobutadiene	[no description available]	medium	1	0	organochlorine compound
bathophenanthroline	[no description available]	medium	1	0	benzenes; phenanthrolines	chelator
ursodeoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
deoxycholic acid	[no description available]	medium	1	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human blood serum metabolite
epidermal growth factor	[no description available]	medium	1	0
pyruvic acid	[no description available]	medium	2	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
canaline	[no description available]	medium	1	0	amino acid zwitterion; non-proteinogenic L-alpha-amino acid	antimetabolite; antineoplastic agent; phytogenic insecticide; plant metabolite
ornithine	[no description available]	medium	5	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
3-mercaptopyruvic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; thiol	antidote to cyanide poisoning; Escherichia coli metabolite; human metabolite; mouse metabolite
methylmercaptan	[no description available]	medium	1	0	alkanethiol	human metabolite; Saccharomyces cerevisiae metabolite
beryllium	[no description available]	medium	1	0	alkaline earth metal atom; elemental beryllium; metal allergen	adjuvant; carcinogenic agent; epitope
cytarabine	[no description available]	medium	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
xanthurenic acid 8-methyl ether	[no description available]	medium	1	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
suramin	[no description available]	medium	1	0	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug
methylformamide	[no description available]	medium	1	0	formamides
vitamin k semiquinone radical	[no description available]	medium	1	0
tryptamine	[no description available]	medium	1	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
succinylacetone	[no description available]	medium	1	0	beta-diketone; dioxo monocarboxylic acid	human metabolite
flufenamic acid	[no description available]	medium	1	0	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenclonine	[no description available]	medium	1	0	phenylalanine derivative
phosphorus radioisotopes	[no description available]	medium	1	0
guanosine	[no description available]	medium	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
nitrites	[no description available]	medium	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrates	[no description available]	medium	2	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
thiosulfates	[no description available]	medium	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
ammonium sulfate	[no description available]	medium	2	0	ammonium salt; inorganic sulfate salt	fertilizer
mannose	[no description available]	medium	1	0	D-aldohexose; D-mannose; mannopyranose	metabolite
sorbitol	[no description available]	medium	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
inositol	[no description available]	medium	3	0	cyclitol; hexol
tyramine	[no description available]	medium	1	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
glyoxal	[no description available]	medium	1	0	dialdehyde	agrochemical; allergen; pesticide; plant growth regulator
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
hydrochloric acid	[no description available]	medium	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
bromine	[no description available]	medium	3	0	diatomic bromine
alkenes	[no description available]	medium	1	0
iodine	[no description available]	medium	1	0	diatomic iodine	nutrient
hydroxyindoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
pargyline	[no description available]	medium	1	0	aromatic amine
oxazoles	[no description available]	medium	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
glycerol	[no description available]	medium	2	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
chlorine	[no description available]	medium	4	0	diatomic chlorine; gas molecular entity	bleaching agent
kynurenic acid	[no description available]	medium	1	0	monohydroxyquinoline; quinolinemonocarboxylic acid	G-protein-coupled receptor agonist; human metabolite; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist; Saccharomyces cerevisiae metabolite
tricalcium phosphate	[no description available]	medium	1	0	calcium phosphate
trichloroacetic acid	[no description available]	medium	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
praseodymium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
terbium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
erbium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
neodymium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
ytterbium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
mestranol	[no description available]	medium	1	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
diiodotyrosine	[no description available]	medium	1	0	diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite
thyroxine	[no description available]	medium	2	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
carbon disulfide	[no description available]	medium	1	0	one-carbon compound; organosulfur compound
cytidine	[no description available]	medium	1	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
glycolaldehyde phosphate	[no description available]	medium	1	0	aldehyde; monoalkyl phosphate
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone	[no description available]	medium	1	0	dichlorobenzene; differentiation-inducing factor; monomethoxybenzene; resorcinols	eukaryotic metabolite; signalling molecule
eye	[no description available]	medium	1	0
humulene	[no description available]	medium	1	0	alpha-humulene
sabinene	[no description available]	medium	1	0	thujene	plant metabolite
trolamine salicylate	[no description available]	medium	1	0
isomethyleugenol	[no description available]	medium	1	0	isomethyleugenol
5,6,7,8-tetrahydropteridine	[no description available]	low	0	0	pteridines	cofactor; Escherichia coli metabolite
dihydrolipoamide	[no description available]	low	0	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydrogen carbonate	[no description available]	low	0	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydroquinone	[no description available]	low	0	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
potassium	[no description available]	low	0	0	alkali metal cation; elemental potassium; monoatomic monocation; monovalent inorganic cation	cofactor; human metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	low	0	0	1,4-benzoquinones	cofactor
quinone	[no description available]	low	0	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
berlition	[no description available]	low	0	0	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group
iron	[no description available]	low	0	0	divalent metal cation; iron cation; monoatomic dication	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
copper	[no description available]	low	0	0	copper cation; monoatomic monocation	cofactor
6,7-dimethyl-8-ribityllumazine, (d)-isomer	[no description available]	low	0	0	pteridines	cofactor; Escherichia coli metabolite
flavin mononucleotide	[no description available]	low	0	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse metabolite
beta carotene	[no description available]	low	0	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
zeaxanthin	[no description available]	low	0	0	carotenol	antioxidant; bacterial metabolite; cofactor
echinenone	[no description available]	low	0	0	carotenone	animal metabolite; bacterial metabolite; cofactor; marine metabolite
vitamin k 1	[no description available]	low	0	0	phylloquinones; vitamin K	cofactor; human metabolite; plant metabolite
menaquinone 7	[no description available]	low	0	0	menaquinone	bone density conservation agent; cofactor; Escherichia coli metabolite; human blood serum metabolite; Mycoplasma genitalium metabolite
adenosine triphosphate	[no description available]	low	0	0	nucleoside 5'-triphoshate(4-)	cofactor; fundamental metabolite; human metabolite
biotinate	[no description available]	low	0	0	monocarboxylic acid anion; vitamin B7	cofactor; human metabolite; Saccharomyces cerevisiae metabolite
chlorophyll b	[no description available]	low	0	0	chlorophyll	cofactor
adenosine monophosphate	[no description available]	low	0	0	nucleoside 5'-monophosphate(2-)	cofactor; fundamental metabolite; human metabolite
cob(ii)alamin	[no description available]	low	0	0	cobalamin	cofactor; human metabolite
3'-hydroxyechinenone	[no description available]	low	0	0	carotenone; enone; secondary alcohol	bacterial metabolite; biological pigment; cofactor
chlorophyll a	[no description available]	low	0	0	chlorophyll; methyl ester	cofactor
bacillithiol	[no description available]	low	0	0	glycoside; monosaccharide derivative; thiol	antioxidant; bacterial metabolite; cofactor
sapropterin	[no description available]	low	0	0	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human metabolite
acetylcarnitine	[no description available]	low	0	0	O-acylcarnitine	human metabolite
2-oxo-3-methylvalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite
alpha-ketoisovalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	human metabolite; Saccharomyces cerevisiae metabolite
2,3-diphosphoglycerate	[no description available]	low	0	0	bisphosphoglyceric acid; tetronic acid derivative	human metabolite
2-keto-4-methylvalerate	[no description available]	low	0	0	2-oxo monocarboxylic acid; branched-chain keto acid	algal metabolite; human metabolite
3-hydroxyanthranilic acid	[no description available]	low	0	0	aminobenzoic acid; monohydroxybenzoic acid	human metabolite; mouse metabolite
3-oxoadipic acid	[no description available]	low	0	0	dicarboxylic fatty acid; oxo dicarboxylic acid	bacterial xenobiotic metabolite; human metabolite
3-phenylpropionic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
isocaproaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde	human metabolite; mouse metabolite
aminolevulinic acid	[no description available]	low	0	0	4-oxo monocarboxylic acid; amino acid zwitterion; delta-amino acid	antineoplastic agent; dermatologic drug; Escherichia coli metabolite; human metabolite; mouse metabolite; photosensitizing agent; plant metabolite; prodrug; Saccharomyces cerevisiae metabolite
5-aminovaleric acid	[no description available]	low	0	0	amino acid zwitterion; delta-amino acid; omega-amino fatty acid	human metabolite
acetyl phosphate	[no description available]	low	0	0	acyl monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
allantoin	[no description available]	low	0	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
anthranilic acid	[no description available]	low	0	0	aminobenzoic acid	human metabolite; mouse metabolite
betaine aldehyde	[no description available]	low	0	0	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
1-butanol	[no description available]	low	0	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
ureidosuccinic acid	[no description available]	low	0	0	aspartic acid derivative; C4-dicarboxylic acid; N-carbamoyl-amino acid	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
carbon monoxide	[no description available]	low	0	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
carnitine	[no description available]	low	0	0	amino-acid betaine	human metabolite; mouse metabolite
coumarin	[no description available]	low	0	0	coumarins	fluorescent dye; human metabolite; plant metabolite
aminoethylphosphonic acid	[no description available]	low	0	0	phosphonic acids; primary amino compound; zwitterion	human metabolite; metabolite; mouse metabolite
octanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
dihydrolipoic acid	[no description available]	low	0	0	thio-fatty acid	antioxidant; human metabolite; neuroprotective agent
trimethylenediamine	[no description available]	low	0	0	alkane-alpha,omega-diamine	human metabolite; mouse metabolite; reagent
3-hydroxybutyric acid	[no description available]	low	0	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
pyrrolidonecarboxylic acid	[no description available]	low	0	0	oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid	human metabolite
3,4-dihydroxyphenylacetic acid	[no description available]	low	0	0	catechols; dihydroxyphenylacetic acid	human metabolite
alpha-keto-delta-guanidinovaleric acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
creatine	[no description available]	low	0	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
dihydrouracil	[no description available]	low	0	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
dihydroxyacetone phosphate	[no description available]	low	0	0	glycerone phosphates; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydroxyacetone	[no description available]	low	0	0	ketotriose; primary alpha-hydroxy ketone	antifungal agent; Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5,6-dimethylbenzimidazole	[no description available]	low	0	0	dimethylbenzimidazole	Escherichia coli metabolite; human metabolite
ethanolamine	[no description available]	low	0	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
gamma-butyrobetaine	[no description available]	low	0	0	amino-acid betaine	Escherichia coli metabolite; human metabolite
glutaric acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
alpha-glycerophosphoric acid	[no description available]	low	0	0	glycerol monophosphate	algal metabolite; human metabolite
glycolaldehyde	[no description available]	low	0	0	glycolaldehydes	fundamental metabolite; human metabolite
glyoxylic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
glycocyamine	[no description available]	low	0	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
hydrogen cyanide	[no description available]	low	0	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
homogentisic acid	[no description available]	low	0	0	dihydroxyphenylacetic acid; hydroquinones	human metabolite; plant metabolite
indole-3-acetaldehyde	[no description available]	low	0	0	indoleacetaldehyde	bacterial metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
itaconic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
dihydroxyphenylalanine	[no description available]	low	0	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
lipoamide	[no description available]	low	0	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
malonic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	human metabolite
n-acetylserotonin	[no description available]	low	0	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
n-methylphenylethanolamine	[no description available]	low	0	0	alkaloid; phenylethanolamines	human metabolite; plant metabolite
n'-acetylspermine	[no description available]	low	0	0	acetamides; acetylspermine	human metabolite
hydroxypyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; 3-hydroxy monocarboxylic acid; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite
oxalic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
4-hydroxyphenylpyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; phenols	human metabolite
hexadecanal	[no description available]	low	0	0	2,3-saturated fatty aldehyde; long-chain fatty aldehyde	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenylacetic acid	[no description available]	low	0	0	benzenes; monocarboxylic acid; phenylacetic acids	allergen; Aspergillus metabolite; auxin; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; Escherichia coli metabolite; human metabolite; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite; toxin
2-hydroxyphenethylamine	[no description available]	low	0	0	phenylethanolamines	human metabolite
phenethylamine	[no description available]	low	0	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phosphorylcholine	[no description available]	low	0	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
picolinic acid	[no description available]	low	0	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
quinolinic acid	[no description available]	low	0	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
thymine	[no description available]	low	0	0	pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite
2-(4-methyl-1,3-thiazol-5-yl)ethanol	[no description available]	low	0	0	1,3-thiazoles; primary alcohol	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
vanilmandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
perillic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid	antineoplastic agent; human metabolite; mouse metabolite
meglutol	[no description available]	low	0	0	3-hydroxy carboxylic acid; dicarboxylic acid; tertiary alcohol	anticholesteremic drug; antimetabolite; EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; human metabolite; plant metabolite
homovanillic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
3-hydroxy-4-methoxyphenethylamine	[no description available]	low	0	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
cetyl alcohol	[no description available]	low	0	0	hexadecanol; long-chain primary fatty alcohol	algal metabolite; flavouring agent; human metabolite; plant metabolite
4-cresol	[no description available]	low	0	0	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
debrisoquin	[no description available]	low	0	0	carboxamidine; isoquinolines	adrenergic agent; antihypertensive agent; human metabolite; sympatholytic agent
decanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; anti-inflammatory agent; antibacterial agent; human metabolite; plant metabolite; volatile oil component
nordazepam	[no description available]	low	0	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; GABA modulator; human metabolite; sedative
2,5-dihydroxybenzoic acid	[no description available]	low	0	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
tele-methylhistamine	[no description available]	low	0	0	imidazoles; primary amino compound	human metabolite; mouse metabolite
indolepropionic acid	[no description available]	low	0	0	indol-3-yl carboxylic acid	auxin; human metabolite; plant metabolite
3-phenyllactic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid	human metabolite
2-amino-3-phosphonopropionic acid	[no description available]	low	0	0	alanine derivative; non-proteinogenic alpha-amino acid; phosphonic acids	human metabolite; metabotropic glutamate receptor antagonist
2-phenylglycine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid	human metabolite
oxidopamine	[no description available]	low	0	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
sebacic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite; plant metabolite
stearic acid	[no description available]	low	0	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
tolbutamide	[no description available]	low	0	0	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
retinoic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; retinoid	human metabolite
corticosterone	[no description available]	low	0	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
estriol	[no description available]	low	0	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
aldosterone	[no description available]	low	0	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
cysteine	[no description available]	low	0	0	cysteine zwitterion; cysteine; L-alpha-amino acid; proteinogenic amino acid; serine family amino acid	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; flour treatment agent; human metabolite
estrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
androsterone	[no description available]	low	0	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
etiocholanolone	[no description available]	low	0	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid	human metabolite; mouse metabolite
dehydroepiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
triiodothyronine	[no description available]	low	0	0	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
isonicotinic acid	[no description available]	low	0	0	pyridinemonocarboxylic acid	algal metabolite; human metabolite
uridine monophosphate	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-monophosphate; uridine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
androstenedione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
desoxycorticosterone	[no description available]	low	0	0	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
17-alpha-hydroxyprogesterone	[no description available]	low	0	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; tertiary alpha-hydroxy ketone	human metabolite; metabolite; mouse metabolite; progestin
n-pentanol	[no description available]	low	0	0	pentanol; short-chain primary fatty alcohol	human metabolite; plant metabolite
ethylamine	[no description available]	low	0	0	primary aliphatic amine	human metabolite
taurocholic acid	[no description available]	low	0	0	amino sulfonic acid; bile acid taurine conjugate	human metabolite
skatole	[no description available]	low	0	0	methylindole	human metabolite; mammalian metabolite
quinaldic acid	[no description available]	low	0	0	quinolinemonocarboxylic acid	human metabolite; Saccharomyces cerevisiae metabolite
3-methylpentane	[no description available]	low	0	0	alkane; volatile organic compound	allelochemical; human metabolite; non-polar solvent
methylcyclopentane	[no description available]	low	0	0	cycloalkane; volatile organic compound	human metabolite; plant metabolite
phosphoribosyl pyrophosphate	[no description available]	low	0	0	5-O-phosphono-D-ribofuranosyl diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
1-phenethylamine	[no description available]	low	0	0	phenylethylamine	human metabolite
trehalose	[no description available]	low	0	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
isethionic acid	[no description available]	low	0	0	alkanesulfonic acid	human metabolite
methylcyclohexane	[no description available]	low	0	0	cycloalkane; volatile organic compound	aprotic solvent; human metabolite; plant metabolite
piperidine	[no description available]	low	0	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
undecanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	antifungal agent; human metabolite
1-tridecanol	[no description available]	low	0	0	long-chain primary fatty alcohol; tridecanol	bacterial metabolite; human metabolite; plant metabolite
stearyl alcohol	[no description available]	low	0	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
acetol	[no description available]	low	0	0	methyl ketone; primary alcohol; primary alpha-hydroxy ketone; propanones	Escherichia coli metabolite; human metabolite; mouse metabolite
2-methylbutanoic acid	[no description available]	low	0	0	methylbutyric acid	bacterial metabolite; human metabolite
hexanoic acid	[no description available]	low	0	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
isopropyl palmitate	[no description available]	low	0	0	fatty acid ester; isopropyl ester	human metabolite
pregnenolone	[no description available]	low	0	0	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite
20-alpha-dihydroprogesterone	[no description available]	low	0	0	20-hydroxypregn-4-en-3-one	human metabolite; mouse metabolite
homoarginine	[no description available]	low	0	0	homoarginine; L-lysine derivative; non-proteinogenic L-alpha-amino acid	biomarker; EC 3.1.3.1 (alkaline phosphatase) inhibitor; human metabolite; rat metabolite; xenobiotic metabolite
dibenzo(a,l)pyrene	[no description available]	low	0	0	ortho- and peri-fused polycyclic arene	human metabolite; mutagen
3-methoxytyrosine	[no description available]	low	0	0	aromatic L-alpha-amino acid zwitterion; L-tyrosine derivative; monomethoxybenzene; non-proteinogenic L-alpha-amino acid	human metabolite
thiocyanate	[no description available]	low	0	0	pseudohalide anion; sulfur molecular entity	human metabolite
4-hydroxyphenyllactic acid	[no description available]	low	0	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
citrulline	[no description available]	low	0	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
lithocholic acid	[no description available]	low	0	0	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
nandrolone	[no description available]	low	0	0	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; anabolic androgenic steroid	human metabolite
4-methylcatechol	[no description available]	low	0	0	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
homocystine	[no description available]	low	0	0	amino acid zwitterion; homocystines	human metabolite
chenodeoxycholic acid	[no description available]	low	0	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
glycocholic acid	[no description available]	low	0	0	bile acid glycine conjugate	human metabolite
epitestosterone	[no description available]	low	0	0	17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen antagonist; human metabolite
ninhydrin	[no description available]	low	0	0	aromatic ketone; beta-diketone; indanones; ketone hydrate	colour indicator; human metabolite
indican	[no description available]	low	0	0	aryl sulfate; indoles	human metabolite
suberic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
hexadecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
androstenediol	[no description available]	low	0	0	17beta-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid	androgen; human metabolite; mouse metabolite; radiation protective agent
dihydrotestosterone	[no description available]	low	0	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
aceturic acid	[no description available]	low	0	0	N-acetyl-amino acid; N-acylglycine	human metabolite
myristic acid	[no description available]	low	0	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
glycylglycine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	human metabolite
lignoceric acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia tenebrosa metabolite; human metabolite; plant metabolite; volatile oil component
18-hydroxycorticosterone	[no description available]	low	0	0	11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
2-hydroxybutyric acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; hydroxybutyric acid	algal metabolite; human metabolite
3-methylhexane	[no description available]	low	0	0	alkane; volatile organic compound	human metabolite
ethylmalonic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
galactitol	[no description available]	low	0	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
2-hydroxyphenylacetic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
5-methyl-2-furfural	[no description available]	low	0	0	aldehyde; furans	EC 2.2.1.6 (acetolactate synthase) inhibitor; flavouring agent; human metabolite; Maillard reaction product
2-hexanol	[no description available]	low	0	0	hexanol; secondary alcohol	human metabolite; plant metabolite; semiochemical
1,1,3,3-tetramethylurea	[no description available]	low	0	0	ureas	human metabolite
glycochenodeoxycholic acid	[no description available]	low	0	0	bile acid glycine conjugate	human metabolite
isocaproic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; medium-chain fatty acid; methyl-branched fatty acid	human metabolite
dehydroepiandrosterone sulfate	[no description available]	low	0	0	17-oxo steroid; steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite; mouse metabolite
dodecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	EC 1.1.1.1 (alcohol dehydrogenase) inhibitor; human metabolite
deoxycytidine	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyuridine	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2'-deoxyadenosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
cytidine diphosphate choline	[no description available]	low	0	0	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
1-pentene-3-one	[no description available]	low	0	0	enone	flavouring agent; genotoxin; human metabolite; plant metabolite
5 alpha-androstane-3 alpha,17 beta-diol	[no description available]	low	0	0	androstane-3alpha,17beta-diol	Daphnia magna metabolite; human metabolite
9,10-epoxystearic acid	[no description available]	low	0	0	epoxystearic acid	human metabolite
5-hydroxyindole	[no description available]	low	0	0	hydroxyindoles	human metabolite
beta-hydroxymyristic acid	[no description available]	low	0	0	3-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; long-chain fatty acid	bacterial metabolite; human metabolite
perillaldehyde	[no description available]	low	0	0	aldehyde; olefinic compound	human metabolite; mouse metabolite; volatile oil component
tricosanoic acid	[no description available]	low	0	0	straight-chain saturated fatty acid; very long-chain fatty acid	Daphnia magna metabolite; human metabolite; plant metabolite
uridine diphosphate glucuronic acid	[no description available]	low	0	0	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
tetrahydropapaveroline	[no description available]	low	0	0	benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; isoquinolinol	human metabolite
cyclic cmp	[no description available]	low	0	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
furoylglycine	[no description available]	low	0	0	furans; N-acylglycine	human metabolite
3,3',5'-triiodothyronine	[no description available]	low	0	0	iodothyronine	human metabolite
limonene	[no description available]	low	0	0	cycloalkene; p-menthadiene	human metabolite
hypochlorous acid	[no description available]	low	0	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
urobilinogen	[no description available]	low	0	0	bilanes	human metabolite
estetrol	[no description available]	low	0	0	15alpha-hydroxy steroid; 16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid; steroid hormone	estrogen receptor agonist; estrogen; human metabolite; human xenobiotic metabolite; oral contraceptive
1-methyladenosine	[no description available]	low	0	0	methyladenosine	human metabolite
nonanal	[no description available]	low	0	0	medium-chain fatty aldehyde; n-alkanal; saturated fatty aldehyde	human metabolite; plant metabolite
dimethylacetamide	[no description available]	low	0	0	acetamides; monocarboxylic acid amide	human metabolite
pregnanolone	[no description available]	low	0	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
s-adenosylmethionine	[no description available]	low	0	0	sulfonium betaine	human metabolite
acetylgalactosamine	[no description available]	low	0	0	N-acetyl-D-hexosamine; N-acetylgalactosamine	Escherichia coli metabolite; human metabolite; mouse metabolite
paclitaxel	[no description available]	low	0	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
norsalsolinol	[no description available]	low	0	0	isoquinolinol	animal metabolite; apoptosis inducer; human metabolite; marine metabolite
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline	[no description available]	low	0	0	isoquinolinol; tertiary amino compound	human metabolite; neurotoxin; rat metabolite
d-lactic acid	[no description available]	low	0	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
xanthosine	[no description available]	low	0	0	purines D-ribonucleoside; xanthosines	Escherichia coli metabolite; human metabolite; mouse metabolite
1,5-anhydroglucitol	[no description available]	low	0	0	anhydro sugar	human metabolite
3-methylhistidine	[no description available]	low	0	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite; Saccharomyces cerevisiae metabolite
5-methylcytosine	[no description available]	low	0	0	methylcytosine; pyrimidines	human metabolite
n-acetylaspartic acid	[no description available]	low	0	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
deoxyuridine triphosphate	[no description available]	low	0	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite
homocitrulline	[no description available]	low	0	0	amino acid zwitterion; L-lysine derivative; non-proteinogenic L-alpha-amino acid; ureas	human metabolite; mouse metabolite
cholesteryl sulfate	[no description available]	low	0	0	steroid sulfate	human metabolite
2'-deoxycytidine 5'-triphosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
25-hydroxycholesterol	[no description available]	low	0	0	25-hydroxy steroid; oxysterol	human metabolite
aica ribonucleotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide; aminoimidazole	cardiovascular drug; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
n-acetylserine	[no description available]	low	0	0	acetyl-L-serine; N-acetyl-L-amino acid	human metabolite
o-4-methylthymine	[no description available]	low	0	0	aromatic ether; methylthymine	human metabolite
tetraiodothyroacetic acid	[no description available]	low	0	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
lathosterol	[no description available]	low	0	0	3beta-sterol; C27-steroid; cholestanoid; Delta(7)-sterol	human metabolite; mouse metabolite
omega-aminocaprylic acid	[no description available]	low	0	0	medium-chain fatty acid; omega-amino fatty acid	human metabolite
2-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid	angiogenesis modulating agent; antimitotic; antineoplastic agent; human metabolite; metabolite; mouse metabolite
parabanic acid	[no description available]	low	0	0	hydracid; imidazolidinone	human metabolite
n-acetyl-l-arginine	[no description available]	low	0	0	N-acetyl-L-amino acid	human metabolite
cystine	[no description available]	low	0	0	cystine zwitterion; cystine; L-cysteine derivative; non-proteinogenic L-alpha-amino acid	EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
6-methyladenine	[no description available]	low	0	0	6-alkylaminopurine; methyladenine	human metabolite
phenylacetylglycine	[no description available]	low	0	0	monocarboxylic acid amide; monocarboxylic acid; N-acylglycine	human metabolite; mouse metabolite
hydracrylic acid	[no description available]	low	0	0	3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid	Escherichia coli metabolite; human metabolite
hordenine	[no description available]	low	0	0	phenethylamine alkaloid	human metabolite; mouse metabolite
4-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
glutaurine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; L-glutamine derivative; sulfonic acid	anticonvulsant; anxiolytic drug; hormone; human metabolite; mammalian metabolite; mouse metabolite
plasmenylserine	[no description available]	low	0	0	O-phosphoserine	EC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor; EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ubiquinone-o	[no description available]	low	0	0	ubiquinones	Escherichia coli metabolite; human metabolite
beta-hydroxyisovaleric acid	[no description available]	low	0	0	3-hydroxy monocarboxylic acid	human metabolite
n-acetylhistamine	[no description available]	low	0	0	acetamides; imidazoles	human metabolite
indole-3-carboxylic acid	[no description available]	low	0	0	indol-3-yl carboxylic acid	bacterial metabolite; human metabolite
5-hydroxymethylcytosine	[no description available]	low	0	0	aminopyrimidine; aromatic primary alcohol; nucleobase analogue; pyrimidone	human metabolite; mouse metabolite
n-acetylglutamic acid	[no description available]	low	0	0	N-acetyl-L-amino acid; N-acyl-L-glutamic acid	human metabolite; Saccharomyces cerevisiae metabolite
2,5-dihydroxybenzaldehyde	[no description available]	low	0	0	dihydroxybenzaldehyde	human metabolite; mouse metabolite; Penicillium metabolite
D-serine	[no description available]	low	0	0	D-alpha-amino acid; serine zwitterion; serine	Escherichia coli metabolite; human metabolite; NMDA receptor agonist
D-alanine	[no description available]	low	0	0	alanine zwitterion; alanine; D-alpha-amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; Escherichia coli metabolite; human metabolite
2-ketopentanoic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; oxopentanoic acid	human metabolite
hydroxyindoleacetaldehyde	[no description available]	low	0	0	hydroxyindoles; indoleacetaldehyde	human metabolite; mouse metabolite
leucylleucine	[no description available]	low	0	0	dipeptide; L-aminoacyl-L-amino acid zwitterion	human metabolite; Mycoplasma genitalium metabolite
5-hydroxymethyluracil	[no description available]	low	0	0	primary alcohol; pyrimidone	human metabolite
12-hydroxydodecanoic acid	[no description available]	low	0	0	omega-hydroxy-medium-chain fatty acid	human metabolite
decane-1,2-diol	[no description available]	low	0	0	glycol; volatile organic compound	anti-inflammatory agent; antioxidant; human metabolite
4-nitrophenyl sulfate	[no description available]	low	0	0	aryl sulfate; C-nitro compound	human metabolite
glucose-1,6-bisphosphate	[no description available]	low	0	0	D-glucose 1,6-bisphosphate	Escherichia coli metabolite; human metabolite
biotinamide	[no description available]	low	0	0	biotins; monocarboxylic acid amide	human metabolite
3,4-dihydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; catechols	antioxidant; drug metabolite; human metabolite; mouse metabolite
3-hydroxymandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; phenols	human metabolite
n-acetylalanine	[no description available]	low	0	0	L-alanine derivative; N-acetyl-L-amino acid	human metabolite; Saccharomyces cerevisiae metabolite
17-alpha-hydroxypregnenolone	[no description available]	low	0	0	17alpha-hydroxy-C21-steroid; 17alpha-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; hydroxypregnenolone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
cholest-4-en-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; cholestanoid	human metabolite; plant metabolite
mephentermine	[no description available]	low	0	0	2-aminooctadecane-1,3-diol	EC 2.7.11.13 (protein kinase C) inhibitor; human metabolite; mouse metabolite
2-pinene oxide	[no description available]	low	0	0	epoxide; pinane monoterpenoid	bacterial xenobiotic metabolite; fragrance; human metabolite
1-methylhistidine	[no description available]	low	0	0	L-histidine derivative; non-proteinogenic L-alpha-amino acid; zwitterion	human metabolite
3-hydroxybutyric acid	[no description available]	low	0	0	3-hydroxybutyric acid; ketone body	fungal metabolite; human metabolite; pheromone
L-2-aminoadipic acid	[no description available]	low	0	0	2-aminoadipic acid	Escherichia coli metabolite; human metabolite
testosterone acetate	[no description available]	low	0	0	3-oxo-Delta(4) steroid; androstanoid; sterol ester	human metabolite
phenylacetylglutamine	[no description available]	low	0	0	N(2)-phenylacetylglutamine	human metabolite
5beta-pregnane-3,20-dione	[no description available]	low	0	0	20-oxo steroid; 3-oxo-5beta-steroid; C21-steroid	human metabolite; mouse metabolite
zymosterol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
brexanolone	[no description available]	low	0	0	3-hydroxy-5alpha-pregnan-20-one	antidepressant; GABA modulator; human metabolite; intravenous anaesthetic; sedative
5-alpha-dihydroprogesterone	[no description available]	low	0	0	20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone	human metabolite; progestogen
n-epsilon-acetyllysine	[no description available]	low	0	0	acetyl-L-lysine; amino acid zwitterion; N(6)-acyl-L-lysine	human metabolite
2-hydroxyhexadecanoic acid	[no description available]	low	0	0	2-hydroxy fatty acid; hydroxypalmitic acid	human metabolite
19-oxo-delta(4) androstene-3,17-dione	[no description available]	low	0	0	17-oxo steroid; 19-oxo steroid; 3-oxo-Delta(4) steroid; androstanoid; steroid aldehyde	human metabolite
gamma-glutamylglutamate	[no description available]	low	0	0	dipeptide	human metabolite
indole-3-lactic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; indol-3-yl carboxylic acid	human metabolite
n(alpha)-acetyllysine	[no description available]	low	0	0	acetyl-L-lysine; amino acid zwitterion	human metabolite
glycyl-l-phenylalanine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	human metabolite; metabolite
5,6-dihydrothymine	[no description available]	low	0	0	pyrimidone	human metabolite; metabolite; mouse metabolite
gamma-glutamyltyrosine	[no description available]	low	0	0	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite
cholest-5-ene-3 beta,26-diol	[no description available]	low	0	0	26-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite
2-hydroxyisovaleric acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid	human metabolite
aminomalonic acid	[no description available]	low	0	0	amino dicarboxylic acid	Daphnia magna metabolite; human metabolite
zymostenol	[no description available]	low	0	0	3beta-sterol; cholestanoid	human metabolite; mouse metabolite
16-hydroxydehydroepiandrosterone	[no description available]	low	0	0	16alpha-hydroxy steroid; 17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid; secondary alpha-hydroxy ketone	human metabolite; mouse metabolite
cortisol 21-sulfate	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; cortisol ester; steroid sulfate; tertiary alpha-hydroxy ketone	human metabolite
1,2-distearoylphosphatidylethanolamine	[no description available]	low	0	0	phosphatidylethanolamine zwitterion; phosphatidylethanolamine	human metabolite
hydrogen sulfite	[no description available]	low	0	0	sulfur oxoanion	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
aflatoxin b1-2,3-oxide	[no description available]	low	0	0	aflatoxin	human metabolite
fructose 2,6-diphosphate	[no description available]	low	0	0	D-fructofuranose 2,6-bisphosphate	human metabolite; mouse metabolite
pregnenolone sulfate	[no description available]	low	0	0	steroid sulfate	EC 2.7.1.33 (pantothenate kinase) inhibitor; human metabolite
3,3'-diiodothyronine	[no description available]	low	0	0	3,3'-diiodothyronine; amino acid zwitterion	human metabolite
l-lactic acid	[no description available]	low	0	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
propionylcarnitine	[no description available]	low	0	0	O-acylcarnitine	analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug
hypotaurine	[no description available]	low	0	0	aminosulfinic acid; zwitterion	human metabolite; metabolite; mouse metabolite
testosterone 17-glucosiduronate	[no description available]	low	0	0	3-oxo steroid; beta-D-glucosiduronic acid; enone; steroid glucosiduronic acid	human metabolite
3-chloro-L-tyrosine	[no description available]	low	0	0	chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid	biomarker; human metabolite
androsterone glucuronide	[no description available]	low	0	0	beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; metabolite; mouse metabolite
selenomethylselenocysteine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; selenocysteines	antineoplastic agent; human metabolite
1,5(10)-estradiene-3,4,17-trione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(1) steroid; orthoquinones	human metabolite
s-sulphocysteine	[no description available]	low	0	0	organic thiosulfate; S-substituted L-cysteine	human metabolite; plant metabolite
estrone-3-glucuronide	[no description available]	low	0	0	17-oxo steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
3,4-dihydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; catechols; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
caprylates	[no description available]	low	0	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
1-hydroxyethyl radical	[no description available]	low	0	0	organic anion	human metabolite; Saccharomyces cerevisiae metabolite
(20s)-20-hydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	human metabolite; mouse metabolite
deoxyhypusine	[no description available]	low	0	0	L-lysine derivative; non-proteinogenic L-alpha-amino acid	human metabolite
3,7,12-trihydroxycoprostanic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; cholestanoic acid; hydroxy monocarboxylic acid	human metabolite
triiodothyronine sulfate	[no description available]	low	0	0	aryl sulfate; O-sulfoamino acid	human metabolite
3,7,12-trihydroxycholestan-26-oic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; hydroxy monocarboxylic acid; steroid acid	human metabolite
erythrose 4-phosphate	[no description available]	low	0	0	erythrose phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
n(8)-acetylspermidine	[no description available]	low	0	0	acetylspermidine	Escherichia coli metabolite; human metabolite
7 alpha-hydroxy-4-cholesten-3-one	[no description available]	low	0	0	3-oxo-Delta(4) steroid; 7alpha-hydroxy steroid; cholestanoid	human metabolite; mouse metabolite
pristanic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid	human metabolite
gamma-glutamylcysteine	[no description available]	low	0	0	gamma-glutamylcysteine	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
27-hydroxycholesterol	[no description available]	low	0	0	26-hydroxycholesterol	apoptosis inducer; human metabolite; mouse metabolite; neuroprotective agent
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid	[no description available]	low	0	0	dicarboxylic acid; furoic acid	human metabolite; uremic toxin
hypothiocyanite ion	[no description available]	low	0	0	one-carbon compound; sulfur oxoacid	antibacterial agent; antifungal agent; antiviral agent; human metabolite; oxidising agent; rat metabolite
3-c-methylerythritol	[no description available]	low	0	0	tetritol	human metabolite
succinylacetoacetate	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; beta-diketone	human metabolite
isoursodeoxycholic acid	[no description available]	low	0	0	dihydroxy-5beta-cholanic acid	human metabolite
mannitol-1-phosphate	[no description available]	low	0	0	alditol 1-phosphate; hexitol phosphate	Escherichia coli metabolite; human metabolite
triiodothyronine	[no description available]	low	0	0	tetrahydrothiophenes; thiolactone	human metabolite
kinetensin	[no description available]	low	0	0	oligopeptide	histamine releasing agent; human metabolite
estra-1(10),4-diene-2,3,17-trione	[no description available]	low	0	0	17-oxo steroid; 3-oxo-Delta(4) steroid; orthoquinones	human metabolite
2'-deoxycytidine diphosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
n-methylserotonin	[no description available]	low	0	0	phenols; tryptamines	human metabolite; plant metabolite
gamma-glutamylglutamine	[no description available]	low	0	0	dipeptide	human metabolite
3,4-dihydroxybutanoic acid	[no description available]	low	0	0	3-hydroxy fatty acid; omega-hydroxy-short-chain fatty acid	human metabolite
n-palmitoylglycine	[no description available]	low	0	0	fatty amide; N-acylglycine 16:0	human metabolite; marine metabolite
gamma-glutamyl-leucine	[no description available]	low	0	0	glutamyl-L-amino acid	human metabolite
ribulose	[no description available]	low	0	0	ribulose	Escherichia coli metabolite; human metabolite
3,4-dihydroxyphenylglycolaldehyde	[no description available]	low	0	0	catechols; hydroxyaldehyde	human metabolite; mouse metabolite; neurotoxin
androsterone sulfate	[no description available]	low	0	0	17-oxo steroid; androstanoid; steroid sulfate	human metabolite; mouse metabolite
3,7,12-trihydroxycoprostane	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
saccharopine	[no description available]	low	0	0	amino acid opine; L-lysine derivative	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allysine	[no description available]	low	0	0	allysine; amino acid zwitterion; aminoadipate semialdehyde; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
orotidylic acid	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
allocholic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; allo-bile acid; C24-steroid	human metabolite; marine metabolite; rat metabolite
beta-ureidoisobutyric acid	[no description available]	low	0	0	ureidocarboxylic acid	human metabolite; mouse metabolite
kynurenine	[no description available]	low	0	0	amino acid zwitterion; kynurenine; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
nicotinate ribonucleoside	[no description available]	low	0	0	ammonium betaine	human metabolite
n(6)-(n-threonylcarbonyl)adenosine	[no description available]	low	0	0	L-threonine derivative; N-(adenosin-N(6)-ylcarbonyl)threonine	Escherichia coli metabolite; human metabolite
sedoheptulose 7-phosphate	[no description available]	low	0	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; human metabolite; mouse metabolite
histidinol	[no description available]	low	0	0	amino alcohol; imidazoles	EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
thiocysteine	[no description available]	low	0	0	amino acid zwitterion; S-substituted L-cysteine	human metabolite; mouse metabolite
nicotinic acid adenine dinucleotide	[no description available]	low	0	0	nicotinic acid dinucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol	[no description available]	low	0	0	3beta-sterol	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
bradykinin, des-phe(8)-des-arg(9)-	[no description available]	low	0	0	oligopeptide	human metabolite; rat metabolite
isobutyryl-1-carnitine	[no description available]	low	0	0	methyl-branched fatty acyl-L-carnitine; O-isobutyrylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
threitol	[no description available]	low	0	0	threitol	human metabolite
angiotensin ii	[no description available]	low	0	0	amino acid zwitterion; angiotensin II	human metabolite
aceglutamide	[no description available]	low	0	0	N-acetyl-L-amino acid; N(2)-acetylglutamine; N(2)-acyl-L-glutamine	human metabolite
aflatoxin b1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
isospaglumic acid	[no description available]	low	0	0	dipeptide	human metabolite
2'-deoxyadenosine triphosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-diphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
2-ethylhydracrylic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; hydroxy fatty acid; short-chain fatty acid	human metabolite
2-methyl-3-oxovaleric acid	[no description available]	low	0	0	3-oxo monocarboxylic acid	human metabolite
monoacetylcadaverine	[no description available]	low	0	0	acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide	human metabolite
beta-citrylglutamic acid	[no description available]	low	0	0	N-acyl-L-glutamic acid; tetracarboxylic acid	human metabolite; iron chelator
maltotriose	[no description available]	low	0	0	maltotriose trisaccharide	human metabolite
cholestane-3,7,12,26-tetrol	[no description available]	low	0	0	12alpha-hydroxy steroid; 26-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
beta-leucine	[no description available]	low	0	0	beta-amino acid	human metabolite
2-methylbutyrylglycine	[no description available]	low	0	0	N-acylglycine	human metabolite
neurotensin (1-8)	[no description available]	low	0	0	peptide zwitterion; peptide	human metabolite
cholic acid	[no description available]	low	0	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
erythritol	[no description available]	low	0	0	butane-1,2,3,4-tetrol	antioxidant; human metabolite; plant metabolite
cortisone	[no description available]	low	0	0	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite
5 alpha-androstane-3 beta,17 beta-diol	[no description available]	low	0	0	17beta-hydroxy steroid; 3beta-hydroxy steroid; androstane-3,17-diol	Daphnia magna metabolite; human metabolite
cholesteryl palmitate	[no description available]	low	0	0	cholesteryl ester	human metabolite; mouse metabolite
lanosterol	[no description available]	low	0	0	14alpha-methyl steroid; 3beta-sterol; tetracyclic triterpenoid	bacterial metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
2-hydroxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 2-hydroxy steroid	carcinogenic agent; human metabolite; metabolite; mouse metabolite; prodrug
5-hydroxyisourate	[no description available]	low	0	0	oxopurine	human metabolite; mouse metabolite
5-formyluracil	[no description available]	low	0	0	aldehyde; nucleobase analogue; pyrimidone	human metabolite; mutagen
taurochenodeoxycholic acid	[no description available]	low	0	0	bile acid taurine conjugate	human metabolite; mouse metabolite
5'-methylthioadenosine	[no description available]	low	0	0	thioadenosine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
5'-deoxyadenosine	[no description available]	low	0	0	5'-deoxyribonucleoside; adenosines	Escherichia coli metabolite; human metabolite; mouse metabolite
isomaltose	[no description available]	low	0	0	glycosylglucose	human metabolite; metabolite; mouse metabolite
n-acetylneuraminic acid	[no description available]	low	0	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
glucosamine 6-phosphate	[no description available]	low	0	0	2-amino-2-deoxy-D-glucopyranose 6-phosphate	human metabolite; Saccharomyces cerevisiae metabolite
5-hydroxytryptophan	[no description available]	low	0	0	5-hydroxytryptophan; amino acid zwitterion; hydroxy-L-tryptophan; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; plant metabolite
dopaquinone	[no description available]	low	0	0	1,2-benzoquinones; amino acid zwitterion; L-phenylalanine derivative	human metabolite; mouse metabolite
pantetheine	[no description available]	low	0	0	pantetheines; thiol	human metabolite; metabolite; mouse metabolite
tryptophanamide	[no description available]	low	0	0	amino acid amide; tryptophan derivative	human metabolite
5-diphosphomevalonic acid	[no description available]	low	0	0	carboxyalkyl phosphate	human metabolite; mouse metabolite
7-dehydrocholesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol	human metabolite; mouse metabolite
cysteinylglycine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
desmosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C27-steroid; cholestanoid	human metabolite; mouse metabolite
monoiodotyrosine	[no description available]	low	0	0	amino acid zwitterion; L-tyrosine derivative; monoiodotyrosine; non-proteinogenic L-alpha-amino acid	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; human metabolite; mouse metabolite
taurolithocholic acid	[no description available]	low	0	0	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
n'-formylkynurenine	[no description available]	low	0	0	amino acid zwitterion; N-formylkynurenine; non-proteinogenic amino acid derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
fuculose 1-phosphate	[no description available]	low	0	0	deoxyaldohexose phosphate	human metabolite
nicotinamide-beta-riboside	[no description available]	low	0	0	N-glycosylnicotinamide; pyridine nucleoside	geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
4-hydroxyphenylacetaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite
trimethyllysine	[no description available]	low	0	0	alpha-amino-acid cation	human metabolite; mouse metabolite
inositol 3,4-bisphosphate	[no description available]	low	0	0	myo-inositol bisphosphate	human metabolite; mouse metabolite
n-acetylglucosamine-1-phosphate	[no description available]	low	0	0	N-acetyl-D-glucosamine 1-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
24,25-dihydrolanosterol	[no description available]	low	0	0	3beta-sterol; tetracyclic triterpenoid	human metabolite; mouse metabolite
2-hydroxyestrone	[no description available]	low	0	0	2-hydroxy steroid; catechols	human metabolite
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
estradiol-3-glucuronide	[no description available]	low	0	0	17beta-hydroxy steroid; beta-D-glucosiduronic acid; steroid glucosiduronic acid	human metabolite; mouse metabolite
acetyl adenylate	[no description available]	low	0	0	5'-acylphosphoadenosin	human metabolite; mouse metabolite
epiandrosterone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; human metabolite
4,4-dimethylcholesta-8,14,24-trienol	[no description available]	low	0	0	3beta-sterol; Delta(14) steroid	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
enkephalin, methionine	[no description available]	low	0	0	pentapeptide; peptide zwitterion	analgesic; antineoplastic agent; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist
7-ketolithocholic acid	[no description available]	low	0	0	3alpha-hydroxy steroid; bile acid; monohydroxy-5beta-cholanic acid; oxo-5beta-cholanic acid	human metabolite
dephosphocoenzyme a	[no description available]	low	0	0	adenosine 5'-phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
tretinoin	[no description available]	low	0	0	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
arachidonic acid	[no description available]	low	0	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
3-hydroxy-3-methylglutaryl-coenzyme a	[no description available]	low	0	0	3-hydroxy-3-methylglutaryl-CoA; 3-hydroxy fatty acyl-CoA	human metabolite; mouse metabolite
retinol	[no description available]	low	0	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
ribothymidine	[no description available]	low	0	0	methyluridine	antigen; Escherichia coli metabolite; human metabolite
docosahexaenoate	[no description available]	low	0	0	docosahexaenoic acid; omega-3 fatty acid	algal metabolite; antineoplastic agent; Daphnia tenebrosa metabolite; human metabolite; mouse metabolite; nutraceutical
tetragastrin	[no description available]	low	0	0	peptidyl amide; tetrapeptide	anxiogenic; human metabolite
prostaglandin d2	[no description available]	low	0	0	prostaglandins D	human metabolite; mouse metabolite
hexanoyl-coenzyme a	[no description available]	low	0	0	medium-chain fatty acyl-CoA	Escherichia coli metabolite; human metabolite; mouse metabolite
enkephalin, leucine	[no description available]	low	0	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
tyrosine o-sulfate	[no description available]	low	0	0	aryl sulfate; L-tyrosine derivative; O-sulfoamino acid	human metabolite
retinaldehyde	[no description available]	low	0	0	retinal; vitamin A	gap junctional intercellular communication inhibitor; human metabolite; mouse metabolite
squalene	[no description available]	low	0	0	triterpene	human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
thyrotropin-releasing hormone	[no description available]	low	0	0	peptide hormone; tripeptide	human metabolite
n-methylproline	[no description available]	low	0	0	L-alpha-amino acid zwitterion; L-proline derivative; tertiary amino compound	human metabolite; plant metabolite
citraconic acid	[no description available]	low	0	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
mannose 1-phosphate	[no description available]	low	0	0	mannose phosphate	fundamental metabolite; human metabolite
glycerylphosphorylcholine	[no description available]	low	0	0	phosphocholines; sn-glycerol 3-phosphates	Escherichia coli metabolite; human metabolite; mouse metabolite; neuroprotective agent; parasympatholytic; Saccharomyces cerevisiae metabolite
urocanic acid	[no description available]	low	0	0	urocanic acid	human metabolite
cysteine sulfinic acid	[no description available]	low	0	0	organosulfinic acid; S-substituted L-cysteine	Escherichia coli metabolite; human metabolite; metabotropic glutamate receptor agonist; mouse metabolite
cholesterol acetate	[no description available]	low	0	0	acetate ester; cholesteryl ester	human metabolite
1,6-anhydro-beta-glucopyranose	[no description available]	low	0	0	anhydrohexose	Arabidopsis thaliana metabolite; biomarker; human metabolite
glycylvaline	[no description available]	low	0	0	dipeptide	human metabolite
sodium taurodeoxycholate	[no description available]	low	0	0	bile acid taurine conjugate	human metabolite
estrone sulfate	[no description available]	low	0	0	17-oxo steroid; steroid sulfate	human metabolite; mouse metabolite
hydroxylysine	[no description available]	low	0	0	5-hydroxylysine; hydroxy-L-lysine	human metabolite
glycodeoxycholic acid	[no description available]	low	0	0	bile acid glycine conjugate	human metabolite
isobutyryl-coenzyme a	[no description available]	low	0	0	methyl-branched fatty acyl-CoA; short-chain fatty acyl-CoA	human metabolite; mouse metabolite
galactaric acid	[no description available]	low	0	0	hexaric acid	human metabolite
dihydroxycoprostane	[no description available]	low	0	0	3alpha-hydroxy steroid; 7alpha-hydroxy steroid	human metabolite; mouse metabolite
angiotensin i, ile(5)-	[no description available]	low	0	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
fructosyl-glycine	[no description available]	low	0	0	fructosamine; glycine derivative; glyco-amino acid	human metabolite
arachidoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	human metabolite
lignoceroyl-coenzyme a	[no description available]	low	0	0	very long-chain fatty acyl-CoA	human metabolite; Saccharomyces cerevisiae metabolite
5-hydroxybenzimidazole	[no description available]	low	0	0	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite
n-carbamylglutamate	[no description available]	low	0	0	glutamic acid derivative; ureas	human metabolite
citramalate	[no description available]	low	0	0	dicarboxylic acid dianion	human metabolite; plant metabolite
4-cresol sulfate	[no description available]	low	0	0	aryl sulfate	gut flora metabolite; human metabolite; uremic toxin
dinoprostone	[no description available]	low	0	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost	[no description available]	low	0	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
leukotriene a4	[no description available]	low	0	0	epoxy fatty acid; leukotriene; long-chain fatty acid; oxylipin; polyunsaturated fatty acid	human metabolite; mouse metabolite; plant metabolite
prostaglandin b1	[no description available]	low	0	0	prostaglandins B	human metabolite
calcitriol	[no description available]	low	0	0	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
psychosine	[no description available]	low	0	0	glycosylsphingoid	human metabolite
ubiquinone 9	[no description available]	low	0	0	ubiquinones	antioxidant; human metabolite
11-cis-retinal	[no description available]	low	0	0	retinal	chromophore; human metabolite; mouse metabolite
leukotriene b4	[no description available]	low	0	0	dihydroxy monocarboxylic acid; hydroxy polyunsaturated fatty acid; leukotriene; long-chain fatty acid	human metabolite; mouse metabolite; plant metabolite; vasoconstrictor agent
leukotriene c4	[no description available]	low	0	0	leukotriene	bronchoconstrictor agent; human metabolite; mouse metabolite
prostaglandin f2beta	[no description available]	low	0	0	prostaglandins Fbeta	human metabolite
8,11,14-eicosatrienoic acid	[no description available]	low	0	0	fatty acid 20:3; long-chain fatty acid	fungal metabolite; human metabolite; nutraceutical
15-keto-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	oxoicosatetraenoic acid	human metabolite
alprostadil	[no description available]	low	0	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
15-hydroxy-5,8,11,13-eicosatetraenoic acid	[no description available]	low	0	0	(5Z,8Z,11Z,13E)-15-HETE	human metabolite; mouse metabolite
5-hydroxy-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE	human metabolite; mouse metabolite
cholecalciferol	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone	geroprotector; human metabolite
leukotriene d4	[no description available]	low	0	0	dipeptide; leukotriene; organic sulfide	bronchoconstrictor agent; human metabolite; mouse metabolite
prostaglandin a2	[no description available]	low	0	0	prostaglandins A	human metabolite
prostaglandin b2	[no description available]	low	0	0	prostaglandins B	human metabolite
prostaglandin g2	[no description available]	low	0	0	prostaglandins G	human metabolite; mouse metabolite
9-deoxy-delta-9-prostaglandin d2	[no description available]	low	0	0	prostaglandins J	human metabolite
6-ketoprostaglandin f1 alpha	[no description available]	low	0	0	prostaglandins Falpha	human metabolite; mouse metabolite
11-dehydro-thromboxane b2	[no description available]	low	0	0	thromboxane	human metabolite
lipoxin a4	[no description available]	low	0	0	hydroxy polyunsaturated fatty acid; lipoxin; long-chain fatty acid	human metabolite; metabolite
gamma-linolenic acid	[no description available]	low	0	0	linolenic acid; omega-6 fatty acid	human metabolite; mouse metabolite; plant metabolite
prostaglandin e3	[no description available]	low	0	0	prostaglandins E	human metabolite
leukotriene f-4	[no description available]	low	0	0	dipeptide; leukotriene; organic sulfide	human metabolite
prostaglandin f1	[no description available]	low	0	0	prostaglandins Falpha	human metabolite
previtamin d(3)	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol	human metabolite
brassicasterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	algal metabolite; animal metabolite; biomarker; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; human metabolite; marine metabolite; plant metabolite; sterol biosynthesis inhibitor
retinoyl beta-glucuronide	[no description available]	low	0	0	glucuronic acids; retinoid	human metabolite
coenzyme q10	[no description available]	low	0	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
prostaglandin d3	[no description available]	low	0	0	prostaglandins D	human metabolite
glyceryl 2-arachidonate	[no description available]	low	0	0	2-acylglycerol 20:4; endocannabinoid	human metabolite
tocotrienol, alpha	[no description available]	low	0	0	tocotrienol; vitamin E	ferroptosis inhibitor; human metabolite; neuroprotective agent; plant metabolite
11-ketotestosterone	[no description available]	low	0	0	11-oxo steroid; 17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; androstanoid	androgen; human metabolite; marine xenobiotic metabolite
menatetrenone	[no description available]	low	0	0	menaquinone	anti-inflammatory agent; antioxidant; bone density conservation agent; human metabolite; neuroprotective agent
phthioic acid	[no description available]	low	0	0	branched-chain saturated fatty acid; fatty acid 26:0; methyl-branched fatty acid; very long-chain fatty acid	Aspergillus metabolite; human metabolite
2-decenoic acid	[no description available]	low	0	0	2-decenoic acid	human metabolite
9,11-linoleic acid	[no description available]	low	0	0	octadeca-9,11-dienoic acid	anti-inflammatory agent; antiatherogenic agent; antineoplastic agent; apoptosis inducer; bacterial xenobiotic metabolite; human metabolite
9-hydroxy-10,12-octadecadienoic acid	[no description available]	low	0	0	HODE; octadecadienoic acid	human metabolite; metabolite; mouse metabolite; plant metabolite
17-phenyltrinorprostaglandin e2	[no description available]	low	0	0	alicyclic ketone; beta-hydroxy ketone; hydroxy monocarboxylic acid; olefinic compound; oxo monocarboxylic acid; prostanoid; secondary alcohol	human metabolite; prostaglandin receptor agonist
thromboxane b2	[no description available]	low	0	0	thromboxanes B	human metabolite; mouse metabolite
thromboxane b3	[no description available]	low	0	0	thromboxanes B	human metabolite; mouse metabolite
12-hydroxy-5,8,10,14-eicosatetraenoic acid	[no description available]	low	0	0	(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid; HETE	human metabolite; pro-angiogenic agent
20-hydroxy-5,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	HETE; hydroxy monocarboxylic acid	human metabolite; mouse metabolite
5-oxo-6,8,11,14-eicosatetraenoic acid	[no description available]	low	0	0	oxoicosatetraenoic acid	human metabolite; immunomodulator; mouse metabolite
8-isoprostaglandin e2	[no description available]	low	0	0	cyclic ketone; diol; prostanoid; secondary alcohol	bronchoconstrictor agent; human metabolite; rat metabolite; vasoconstrictor agent
oleylamide	[no description available]	low	0	0	primary fatty amide	human metabolite; plant metabolite
monolinolein	[no description available]	low	0	0	1-acylglycerol 18:2; rac-1-monoacylglycerol	antiviral agent; human metabolite; plant metabolite
1,25-dihydroxy-24-oxo-vitamin d3	[no description available]	low	0	0	hydroxycalciol; oxocalciol; tertiary alpha-hydroxy ketone	human metabolite
calcifediol	[no description available]	low	0	0	D3 vitamins; diol; hydroxycalciol	bone density conservation agent; human metabolite; metabolite; mouse metabolite; nutraceutical
hyodeoxycholic acid	[no description available]	low	0	0	5beta-cholanic acids; 6alpha,20xi-murideoxycholic acid; bile acid; C24-steroid	human metabolite; mouse metabolite
cerium	[no description available]	low	0	0	CE(18:2); cholesteryl octadeca-9,12-dienoate	human metabolite; mouse metabolite
xylulose	[no description available]	low	0	0	xylulose	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
11-dehydrocorticosterone	[no description available]	low	0	0	11-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
1-butyl oleate	[no description available]	low	0	0	fatty acid ester	human metabolite
8-hydroxyadenine	[no description available]	low	0	0	6-aminopurines; heteroaryl hydroxy compound; nucleobase analogue; oxopurine	bacterial metabolite; human metabolite
erucyl amide	[no description available]	low	0	0	13-docosenamide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite; mammalian metabolite; plant metabolite; rat metabolite
vitamin mk 8	[no description available]	low	0	0	menaquinone	Escherichia coli metabolite; human metabolite
2,3-oxidosqualene	[no description available]	low	0	0	2,3-epoxysqualene	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2-keto-4-hydroxyglutarate	[no description available]	low	0	0	oxo dicarboxylate	human metabolite; Saccharomyces cerevisiae metabolite
iditol	[no description available]	low	0	0	iditol	fungal metabolite; human metabolite
glutamate	[no description available]	low	0	0	glutamate(1-); polar amino acid zwitterion	EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor; human metabolite; Saccharomyces cerevisiae metabolite
cerotate	[no description available]	low	0	0	fatty acid anion 26:0; omega-methyl fatty acid anion; very long-chain fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
docosapentaenoic acid	[no description available]	low	0	0	docosapentaenoic acid; omega-3 fatty acid	algal metabolite; human metabolite
3-methylbutyrylcarnitine	[no description available]	low	0	0	C5-acylcarnitine	human metabolite
hexanoylcarnitine	[no description available]	low	0	0	hexanoate ester; O-acylcarnitine	human metabolite
linoleamide	[no description available]	low	0	0	primary fatty amide	human metabolite
13-cis-retinal	[no description available]	low	0	0	retinal	human metabolite
4-hydroxyretinoic acid	[no description available]	low	0	0	retinoid; secondary allylic alcohol	human metabolite
4-oxo-2-nonenal	[no description available]	low	0	0	enal; enone	human metabolite
20,22-dihydroxycholesterol	[no description available]	low	0	0	20-hydroxy steroid; 22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; oxysterol	human metabolite; mouse metabolite
6 beta-hydroxycortisol	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mammalian metabolite; probe
fuculose	[no description available]	low	0	0	deoxyketohexose	Escherichia coli metabolite; human metabolite
gamma-glutamylvaline	[no description available]	low	0	0	glutamyl-L-amino acid	human metabolite
ophthalmic acid	[no description available]	low	0	0	L-glutamine derivative	biomarker; human metabolite
acetylcarnitine	[no description available]	low	0	0	O-acetylcarnitine; saturated fatty acyl-L-carnitine	human metabolite; Saccharomyces cerevisiae metabolite
adenosine diphosphate	[no description available]	low	0	0	nucleoside 5'-diphosphate(3-)	fundamental metabolite; human metabolite
cyclic amp	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
1,23,25-trihydroxyvitamin d3	[no description available]	low	0	0	D3 vitamins; hydroxy seco-steroid; hydroxycalciol; tetrol	human metabolite
phosphocreatine	[no description available]	low	0	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
ursodoxicoltaurine	[no description available]	low	0	0	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
arachidonoylserotonin	[no description available]	low	0	0	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule
homocarnosine	[no description available]	low	0	0	dipeptide zwitterion; dipeptide; homocarnosine; L-histidine derivative; N-acyl-L-alpha-amino acid anion; N-acyl-L-alpha-amino acid	human metabolite
3-hydroxyproline	[no description available]	low	0	0	3-hydroxyproline; amino acid zwitterion; D-proline derivative	bacterial metabolite; human metabolite
octanoylcarnitine	[no description available]	low	0	0	O-octanoylcarnitine; saturated fatty acyl-L-carnitine	human metabolite
palmitoylcarnitine	[no description available]	low	0	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
cyclic 3',5'-thymidine monophosphate	[no description available]	low	0	0	3',5'-cyclic pyrimidine nucleotide	human metabolite
pristanal	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; saturated fatty aldehyde	human metabolite
lanosten-3-ol-32-al	[no description available]	low	0	0	14alpha-formyl steroid; 3beta-sterol; tetracyclic triterpenoid	human metabolite
thiamine pyrophosphate	[no description available]	low	0	0	organophosphate oxoanion; vitamin B1	human metabolite; Saccharomyces cerevisiae metabolite
nociceptin	[no description available]	low	0	0	organic molecular entity; polypeptide	human metabolite; rat metabolite
3-hydroxy-3-methyl-hexanoic acid	[no description available]	low	0	0	3-hydroxy monocarboxylic acid; volatile organic compound	human metabolite
uridine diphosphate	[no description available]	low	0	0	nucleoside 5'-diphosphate(3-)	human metabolite; Saccharomyces cerevisiae metabolite
n-acetylgalactosamine-1-phosphate	[no description available]	low	0	0	D-galactosamine 1-phosphate	human metabolite
1-phospho-5-s-methylthioribulose	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
10-nitro-oleic acid	[no description available]	low	0	0	long-chain fatty acid; monounsaturated fatty acid; nitro fatty acid	human metabolite
ticrynafen	[no description available]	low	0	0	monocarboxylic acid anion; organophosphate oxoanion	human metabolite
s-(1,2-dicarboxyethyl)cysteine	[no description available]	low	0	0	L-cysteine thioether; tricarboxylic acid	human metabolite; Maillard reaction product
neurotensin	[no description available]	low	0	0	peptide hormone	human metabolite; mitogen; neurotransmitter; vulnerary
apelin-13 peptide	[no description available]	low	0	0	oligopeptide	antihypertensive agent; autophagy inhibitor; biomarker; human metabolite; neuroprotective agent
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe	[no description available]	low	0	0	polypeptide	apoptosis inhibitor; human metabolite; neuroprotective agent
taurolithocholic acid 3-sulfate	[no description available]	low	0	0	steroid sulfate oxoanion	human metabolite
inositol 1,3,4-trisphosphate	[no description available]	low	0	0	inositol phosphate oxoanion	human metabolite
diadenosine tetraphosphate	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
2-ketoarginine	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
adenosine diphosphate glucose	[no description available]	low	0	0	NDP-alpha-D-glucose(2-); ribonucleoside 5'-diphosphate-alpha-D-glucose(2-)	human metabolite
nicotinate mononucleotide	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
oleoylcarnitine	[no description available]	low	0	0	monounsaturated fatty acyl-L-carnitine	glycine transporter 2 inhibitor; human metabolite
uridine diphosphate n-acetylgalactosamine	[no description available]	low	0	0	nucleotide-sugar oxoanion	human metabolite
6-phosphogluconolactone	[no description available]	low	0	0	organophosphate oxoanion	human metabolite; Saccharomyces cerevisiae metabolite
3-hydroxyisovalerylcarnitine	[no description available]	low	0	0	O-acylcarnitine	human metabolite
angiotensin i	[no description available]	low	0	0	angiotensin; peptide zwitterion	antihypertensive agent; cardioprotective agent; human metabolite; rat metabolite
9-PAHSA	[no description available]	low	0	0	FAHFA; long-chain fatty acid	anti-inflammatory agent; human metabolite; hypoglycemic agent
angiotensin i	[no description available]	low	0	0	angiotensin; peptide zwitterion	human metabolite; neurotransmitter agent
lugdunin	[no description available]	low	0	0	homodetic cyclic peptide; indoles; macrocycle; peptide antibiotic; thiazolidines	human metabolite; rat metabolite
cyclic gmp	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; guanyl ribonucleotide	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
deoxyinosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate	[no description available]	low	0	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-triphosphate	Arabidopsis thaliana metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
7,8-dihydroneopterin	[no description available]	low	0	0	dihydropterin; neopterins	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
deoxyinosine monophosphate	[no description available]	low	0	0	deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
guanosine diphosphate mannose	[no description available]	low	0	0	GDP-D-mannose	Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
guanine	[no description available]	low	0	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inosinic acid	[no description available]	low	0	0	inosine phosphate; purine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
inosine	[no description available]	low	0	0	inosines; purines D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
inosine triphosphate	[no description available]	low	0	0	inosine phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
dyspropterin	[no description available]	low	0	0	biopterins; tetrahydropterin	human metabolite; metabolite; mouse metabolite
8-nitroguanosine 3',5'-cyclic monophosphate	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; C-nitro compound	biomarker; Brassica napus metabolite; human metabolite; signalling molecule
n(2),n(2)-dimethylguanosine	[no description available]	low	0	0	methylguanosine	human metabolite
creatinine	[no description available]	low	0	0	imidazolidinone; lactam	diagnostic agent; human metabolite
apelin-12 peptide	[no description available]	low	0	0	oligopeptide	biomarker; human blood serum metabolite; human metabolite; neuroprotective agent
7-keto-8-aminopelargonic acid	[no description available]	low	0	0	7-oxo monocarboxylic acid; amino acid zwitterion; amino acid	Saccharomyces cerevisiae metabolite
gamma-guanidinobutyric acid	[no description available]	low	0	0	guanidines; monocarboxylic acid; zwitterion	fungal metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
indol-3-yl pyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; indol-3-yl carboxylic acid	plant metabolite; Saccharomyces cerevisiae metabolite
racemethionine	[no description available]	low	0	0	alpha-amino acid; amino acid zwitterion; sulfur-containing amino acid	algal metabolite; Daphnia magna metabolite; Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
xanthine	[no description available]	low	0	0	xanthine	Saccharomyces cerevisiae metabolite
4-aminobenzoic acid	[no description available]	low	0	0	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
phenylethyl alcohol	[no description available]	low	0	0	benzenes; primary alcohol	Aspergillus metabolite; fragrance; plant growth retardant; plant metabolite; Saccharomyces cerevisiae metabolite
isobutyl alcohol	[no description available]	low	0	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
isobutyraldehyde	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; propanals	Saccharomyces cerevisiae metabolite
2-furoic acid	[no description available]	low	0	0	furoic acid	bacterial xenobiotic metabolite; human xenobiotic metabolite; inhibitor; plant metabolite; Saccharomyces cerevisiae metabolite
2-methylbutanal	[no description available]	low	0	0	2-methyl-branched fatty aldehyde; methylbutanal	plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
2-phenylethyl acetate	[no description available]	low	0	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
propargyl alcohol	[no description available]	low	0	0	propynol; terminal acetylenic compound; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite
isobutyl acetate	[no description available]	low	0	0	acetate ester	Saccharomyces cerevisiae metabolite
2-methylbutanol	[no description available]	low	0	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae metabolite
shikimic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
ethyl acetate	[no description available]	low	0	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
methionol	[no description available]	low	0	0	aliphatic sulfide; methyl sulfide	Saccharomyces cerevisiae metabolite
tryptophol	[no description available]	low	0	0	indolyl alcohol	auxin; plant metabolite; Saccharomyces cerevisiae metabolite
levocarnitine	[no description available]	low	0	0	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)
isovalerylaldehyde	[no description available]	low	0	0	methylbutanal	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite; volatile oil component
chorismic acid	[no description available]	low	0	0	5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
isopentyl alcohol	[no description available]	low	0	0	alkyl alcohol; primary alcohol; volatile organic compound	antifungal agent; Saccharomyces cerevisiae metabolite; xenobiotic metabolite
isoamyl acetate	[no description available]	low	0	0	acetate ester	metabolite; Saccharomyces cerevisiae metabolite
4-hydroxy-2-ethyl-5-methyl-3(2h)-furanone	[no description available]	low	0	0	cyclic ketone; enol; furans	Saccharomyces cerevisiae metabolite
phosphopantothenic acid	[no description available]	low	0	0	amidoalkyl phosphate	Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
copper histidine	[no description available]	low	0	0	D-alpha-amino acid; histidine; polar amino acid zwitterion	Saccharomyces cerevisiae metabolite
4-methyl-4-sulfanylpentan-2-one	[no description available]	low	0	0	alkanethiol; methyl ketone	plant metabolite; Saccharomyces cerevisiae metabolite
poly-o-acetylserine	[no description available]	low	0	0	acetate ester; acetyl-L-serine; amino acid zwitterion	bacterial metabolite; Saccharomyces cerevisiae metabolite
phytosphingosine	[no description available]	low	0	0	amino alcohol; sphingoid; triol	mouse metabolite; Saccharomyces cerevisiae metabolite
2'-deoxy cyclic amp	[no description available]	low	0	0	3',5'-cyclic purine nucleotide	Saccharomyces cerevisiae metabolite
5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione	[no description available]	low	0	0	aminouracil; hydroxypyrimidine	Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydroxythreonine	[no description available]	low	0	0	amino acid zwitterion; hydroxy-amino acid; L-threonine derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
raffinose	[no description available]	low	0	0	raffinose family oligosaccharide; trisaccharide	mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
pantolactone	[no description available]	low	0	0	butan-4-olide	Saccharomyces cerevisiae metabolite
o-succinylhomoserine	[no description available]	low	0	0	hemisuccinate; o-succinylhomoserine	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
D-leucine	[no description available]	low	0	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; leucine	bacterial metabolite; Saccharomyces cerevisiae metabolite
fecosterol	[no description available]	low	0	0	3beta-sterol	Saccharomyces cerevisiae metabolite
ergosterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
3-mercaptohexyl acetate	[no description available]	low	0	0	acetate ester; alkanethiol	Saccharomyces cerevisiae metabolite
3-mercaptohexanol	[no description available]	low	0	0	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite
tocotrienol, delta	[no description available]	low	0	0	tocotrienol; vitamin E	anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bone density conservation agent; NF-kappaB inhibitor; plant metabolite; radiation protective agent; Saccharomyces cerevisiae metabolite
ubiquinone 6	[no description available]	low	0	0	ubiquinones	Saccharomyces cerevisiae metabolite
3-dehydroshikimate	[no description available]	low	0	0	monocarboxylic acid anion	Saccharomyces cerevisiae metabolite
d-ribo-phytosphingosine-1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	Saccharomyces cerevisiae metabolite
6-hydroxymethyl-7,8-dihydropterin	[no description available]	low	0	0	dihydropterin	Saccharomyces cerevisiae metabolite
cyclic imp	[no description available]	low	0	0	3',5'-cyclic purine nucleotide; nucleoside 3',5'-cyclic phosphate	mammalian metabolite; Saccharomyces cerevisiae metabolite
5,6,7,8-tetrahydrofolic acid	[no description available]	low	0	0	tetrahydrofolic acid	Saccharomyces cerevisiae metabolite
monoisopropanolamine	[no description available]	low	0	0	amino alcohol; secondary alcohol	Escherichia coli metabolite
dihydro-3-coumaric acid	[no description available]	low	0	0	monocarboxylic acid	Escherichia coli metabolite; human xenobiotic metabolite
4-aminobutyraldehyde	[no description available]	low	0	0	aminobutanal; omega-aminoaldehyde	Escherichia coli metabolite; mouse metabolite
aminoacetone	[no description available]	low	0	0	methyl ketone; propanones	Escherichia coli metabolite; mouse metabolite
arsenic acid	[no description available]	low	0	0	arsenic oxoacid	Escherichia coli metabolite
butyraldehyde	[no description available]	low	0	0	butanals	biomarker; Escherichia coli metabolite; mouse metabolite
coproporphyrinogen iii	[no description available]	low	0	0	coproporphyrinogen	Escherichia coli metabolite; mouse metabolite
2-aminoacetaldehyde	[no description available]	low	0	0	amino aldehyde; omega-aminoaldehyde	Escherichia coli metabolite
2,3-diaminopropionic acid	[no description available]	low	0	0	alanine derivative; amino acid zwitterion; beta-amino acid; diamino acid; non-proteinogenic alpha-amino acid	Escherichia coli metabolite
oxaluric acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; ureas	Escherichia coli metabolite
propionaldehyde	[no description available]	low	0	0	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
phosphoglycolate	[no description available]	low	0	0	carboxyalkyl phosphate	Escherichia coli metabolite; mouse metabolite
hydrogen selenide	[no description available]	low	0	0	mononuclear parent hydride; selenium hydride	Escherichia coli metabolite; mouse metabolite
3,3-dimethylallyl pyrophosphate	[no description available]	low	0	0	prenol phosphate	epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
1,4-dihydroxy-2-naphthoic acid	[no description available]	low	0	0	dihydroxy monocarboxylic acid; naphthalenediols; naphthohydroquinone; naphthoic acid	Escherichia coli metabolite
thiocyanic acid	[no description available]	low	0	0	hydracid; one-carbon compound; organosulfur compound	Escherichia coli metabolite
hydroxymethylbilane	[no description available]	low	0	0	bilanes	Escherichia coli metabolite; mouse metabolite
iminoaspartic acid	[no description available]	low	0	0	aspartic acid derivative; C4-dicarboxylic acid; ketimine	Escherichia coli metabolite
indole	[no description available]	low	0	0	indole; polycyclic heteroarene	Escherichia coli metabolite
oxamic acid	[no description available]	low	0	0	dicarboxylic acid monoamide	Escherichia coli metabolite
porphobilinogen	[no description available]	low	0	0	aralkylamino compound; dicarboxylic acid; pyrroles	Escherichia coli metabolite; metabolite; mouse metabolite
diphosphoric acid	[no description available]	low	0	0	acyclic phosphorus acid anhydride; phosphorus oxoacid	Escherichia coli metabolite
prephenic acid	[no description available]	low	0	0	oxo dicarboxylic acid	Escherichia coli metabolite; plant metabolite
dimethyl sulfide	[no description available]	low	0	0	aliphatic sulfide	algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite
succinic semialdehyde	[no description available]	low	0	0	aldehydic acid	Escherichia coli metabolite; mouse metabolite
sulfur dioxide	[no description available]	low	0	0	sulfur oxide	Escherichia coli metabolite; food bleaching agent; refrigerant
tartronate semialdehyde	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; 3-oxo monocarboxylic acid; aldehyde	Escherichia coli metabolite; mouse metabolite
trimethyloxamine	[no description available]	low	0	0	tertiary amine oxide	Escherichia coli metabolite; metabolite; osmolyte
trimethylamine	[no description available]	low	0	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
uroporphyrinogen iii	[no description available]	low	0	0	uroporphyrinogen	Escherichia coli metabolite; mouse metabolite
isopentenyl pyrophosphate	[no description available]	low	0	0	prenol phosphate	antigen; antioxidant; epitope; Escherichia coli metabolite; mouse metabolite; phosphoantigen
beta-glycerophosphoric acid	[no description available]	low	0	0	glycerol monophosphate	Escherichia coli metabolite; plant metabolite
galactose	[no description available]	low	0	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
cytidine diphosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite
uridine triphosphate	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-triphosphate; uridine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
cytidine triphosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
methanesulfonic acid	[no description available]	low	0	0	alkanesulfonic acid; one-carbon compound	Escherichia coli metabolite
framycetin	[no description available]	low	0	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
phosphoadenosine phosphosulfate	[no description available]	low	0	0	acyl sulfate; adenosine bisphosphate; purine ribonucleoside bisphosphate	Escherichia coli metabolite; mouse metabolite
adenosine phosphosulfate	[no description available]	low	0	0	acyl monophosphate; acyl sulfate; adenosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
deoxycytidine monophosphate	[no description available]	low	0	0	2'-deoxycytidine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; mouse metabolite
nicotinamide mononucleotide	[no description available]	low	0	0	nicotinamide mononucleotide	Escherichia coli metabolite; mouse metabolite
2'-deoxyadenosine triphosphate	[no description available]	low	0	0	2'-deoxyadenosine 5'-phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
fucose	[no description available]	low	0	0	fucopyranose; L-fucose	Escherichia coli metabolite; mouse metabolite
1,3,4-butanetriol	[no description available]	low	0	0	triol	bacterial xenobiotic metabolite; Escherichia coli metabolite
diadenosine tetraphosphate	[no description available]	low	0	0	diadenosyl tetraphosphate	Escherichia coli metabolite; mouse metabolite
d-glutamate	[no description available]	low	0	0	D-alpha-amino acid; glutamic acid	Escherichia coli metabolite; mouse metabolite
molybdate ion	[no description available]	low	0	0	divalent inorganic anion; molybdenum oxoanion	Escherichia coli metabolite
myrmicacin	[no description available]	low	0	0	3-hydroxy fatty acid; medium-chain fatty acid	antimitotic; Escherichia coli metabolite
phosphotyrosine	[no description available]	low	0	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
adenosine diphosphate ribose	[no description available]	low	0	0	ADP-sugar	Escherichia coli metabolite; mouse metabolite
thymidine 5'-triphosphate	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside 5'-triphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
2'-deoxyuridylic acid	[no description available]	low	0	0	deoxyuridine phosphate; pyrimidine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
glutathione disulfide	[no description available]	low	0	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
n-(3-aminopropyl)cadaverine	[no description available]	low	0	0	polyazaalkane; triamine	Escherichia coli metabolite
3'-cmp	[no description available]	low	0	0	cytidine 3'-phosphate; pyrimidine ribonucleoside 3'-monophosphate	Escherichia coli metabolite; metabolite; mouse metabolite
cifostodine	[no description available]	low	0	0	2',3'-cyclic pyrimidine nucleotide	Escherichia coli metabolite; mouse metabolite; Mycoplasma genitalium metabolite
D-tyrosine	[no description available]	low	0	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; tyrosine	Escherichia coli metabolite
xanthosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-monophosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; metabolite; mouse metabolite
succinyl-coenzyme a	[no description available]	low	0	0	omega-carboxyacyl-CoA	Escherichia coli metabolite; inhibitor; mouse metabolite
acetoacetyl coa	[no description available]	low	0	0	3-oxo-fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
propionyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
stearoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
3'-uridylic acid	[no description available]	low	0	0	pyrimidine ribonucleoside 3'-monophosphate; uridine phosphate	Escherichia coli metabolite
2',3'-cyclic amp	[no description available]	low	0	0	2',3'-cyclic purine nucleotide	Escherichia coli metabolite
2,5-diketogluconic acid	[no description available]	low	0	0	diketoaldonic acid	Escherichia coli metabolite
selenodiglutathione	[no description available]	low	0	0	glutathione derivative; thioselenide	Escherichia coli metabolite; metabolite
2-deoxyglucose-6-phosphate	[no description available]	low	0	0	deoxyaldohexose phosphate	Escherichia coli metabolite; Mycoplasma genitalium metabolite
protoporphyrinogen	[no description available]	low	0	0	porphyrinogens	Escherichia coli metabolite; mouse metabolite
thymidine diphosphate-l-rhamnose	[no description available]	low	0	0	dTDP-L-rhamnose	Escherichia coli metabolite
butyryl-coenzyme a	[no description available]	low	0	0	butanoyl-CoAs	Escherichia coli metabolite; mouse metabolite
trehalose-6-phosphate	[no description available]	low	0	0	trehalose phosphate	Escherichia coli metabolite
ribulose-1,5 diphosphate	[no description available]	low	0	0	ribulose phosphate	Escherichia coli metabolite; plant metabolite
aerobactin	[no description available]	low	0	0	L-lysine derivative	Escherichia coli metabolite; siderophore; virulence factor
lipid x	[no description available]	low	0	0	N-acyl-D-glucosamine 1-phosphate	Escherichia coli metabolite
galactose-1-phosphate	[no description available]	low	0	0	alpha-D-hexose 1-phosphate; D-galactopyranose 1-phosphate	Escherichia coli metabolite; mouse metabolite
glutamate-1-semialdehyde	[no description available]	low	0	0	5-oxo monocarboxylic acid; amino acid zwitterion; gamma-amino acid; glutamic semialdehyde	Escherichia coli metabolite
o-phosphohomoserine	[no description available]	low	0	0	O-phosphorylhomoserine	Escherichia coli metabolite
2,3-dihydroxybenzoylserine	[no description available]	low	0	0	L-serine derivative	Escherichia coli metabolite
sorbitol 6-phosphate	[no description available]	low	0	0	alditol 6-phosphate; glucitol phosphate	Escherichia coli metabolite; mouse metabolite
beta-aspartyl phosphate	[no description available]	low	0	0	aminoacyl phosphate; L-aspartic acid derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite
adenosine 3'-phosphate-5'-phosphate	[no description available]	low	0	0	adenosine bisphosphate	Escherichia coli metabolite; mouse metabolite
alpha-ribazole	[no description available]	low	0	0	1-ribosylbenzimidazole; dimethylbenzimidazole	Escherichia coli metabolite; mouse metabolite
abrine	[no description available]	low	0	0	L-tryptophan derivative; N-methyl-L-alpha-amino acid zwitterion; N-methyl-L-alpha-amino acid	Escherichia coli metabolite
3-deoxy-d-arabino-heptulosonate-7-phosphate	[no description available]	low	0	0	ketoaldonic acid phosphate	Escherichia coli metabolite
saicar	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite; mouse metabolite
thymidine 5'-diphosphate	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside 5'-diphosphate; thymidine phosphate	Escherichia coli metabolite; mouse metabolite
sedoheptulose 1,7-bisphosphate	[no description available]	low	0	0	ketoheptose phosphate; sedoheptulose derivative	Escherichia coli metabolite; mouse metabolite
carboxyaminoimidazole ribotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazole; aminoimidazole; imidazole-4-carboxylic acid	Escherichia coli metabolite; mouse metabolite
lauroyl-coenzyme a	[no description available]	low	0	0	medium-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
phenylacetyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
5-formamidoimidazole-4-carboxamide ribotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite; mouse metabolite
glucosamine 1-phosphate	[no description available]	low	0	0	glucosamine phosphate	Escherichia coli metabolite
9-mercaptodethiobiotin	[no description available]	low	0	0	imidazolidinone; monocarboxylic acid; thiol; ureas	Escherichia coli metabolite
idonic acid	[no description available]	low	0	0	idonic acid	Escherichia coli metabolite
gamma-glutamyl phosphate	[no description available]	low	0	0	gamma-glutamyl phosphate	Escherichia coli metabolite; mouse metabolite
n(1)-((5'-phosphoribulosyl)formimino)-5-aminoimidazo-4-carboxamide ribonucleotide	[no description available]	low	0	0	1-(phosphoribosyl)imidazolecarboxamide	Escherichia coli metabolite
2-oxo-3-deoxygalactonic acid	[no description available]	low	0	0	hexonic acid; ketoaldonic acid	Escherichia coli metabolite
xylulose-5-phosphate, (d)-isomer	[no description available]	low	0	0	xylulose 5-phosphate	Escherichia coli metabolite; mouse metabolite
glycerate 1,3-biphosphate	[no description available]	low	0	0	2,3-bisphosphoglyceric acid; acyl monophosphate	Escherichia coli metabolite; mouse metabolite
arabinose	[no description available]	low	0	0	L-arabinose	Escherichia coli metabolite; mouse metabolite
glucosamine	[no description available]	low	0	0	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
ribose 1-phosphate	[no description available]	low	0	0	D-ribose 1-phosphate	Escherichia coli metabolite
diaminopimelic acid	[no description available]	low	0	0	2,6-diaminopimelic acid; amino acid zwitterion	Escherichia coli metabolite
xanthosine 5'-triphosphate	[no description available]	low	0	0	purine ribonucleoside 5'-triphosphate; xanthosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
3-dehydroquinic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; 4-hydroxy monocarboxylic acid; 4-oxo monocarboxylic acid; 5-hydroxy monocarboxylic acid; secondary alpha-hydroxy ketone	Escherichia coli metabolite
s-adenosyl-3-methylthiopropylamine	[no description available]	low	0	0	adenosines; sulfonium compound	Escherichia coli metabolite; human urinary metabolite; mouse metabolite; rat metabolite
6-phosphonoglucono-delta-lactone	[no description available]	low	0	0	aldonolactone phosphate	Escherichia coli metabolite; mouse metabolite
tartaric acid	[no description available]	low	0	0	tartaric acid	Escherichia coli metabolite
s-ribosyl-l-homocysteine	[no description available]	low	0	0	S-(5-deoxy-D-ribos-5-yl)-L-homocysteine	Escherichia coli metabolite
nitro-bis(2,4-pentanedionato)(pyridine)cobalt(iii)	[no description available]	low	0	0	diadenosyl pentaphosphate	Escherichia coli metabolite; vasoconstrictor agent
pantothenylcysteine 4'-phosphate	[no description available]	low	0	0	L-cysteine derivative	Escherichia coli metabolite; mouse metabolite
glutathionylspermidine	[no description available]	low	0	0	glutathione derivative	Escherichia coli metabolite
arbutin	[no description available]	low	0	0	beta-D-glucoside; monosaccharide derivative	Escherichia coli metabolite; plant metabolite
2-c-methylerythritol 4-phosphate	[no description available]	low	0	0	tetritol phosphate	Escherichia coli metabolite
1-deoxy-d-xylulose 5-phosphate	[no description available]	low	0	0	xylulose phosphate	Escherichia coli metabolite
c(alpha)-formylglycine	[no description available]	low	0	0	3-oxoalanine; amino acid zwitterion; L-alanine derivative; non-proteinogenic L-alpha-amino acid	Escherichia coli metabolite
n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole	[no description available]	low	0	0	1-ribosylbenzimidazole; dimethylbenzimidazole; ribose monophosphate	Escherichia coli metabolite; mouse metabolite
palmitoleic acid	[no description available]	low	0	0	hexadec-9-enoic acid	algal metabolite; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; human blood serum metabolite
oleic acid	[no description available]	low	0	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
farnesyl pyrophosphate	[no description available]	low	0	0	farnesyl diphosphate	Escherichia coli metabolite; mouse metabolite
geranyl pyrophosphate	[no description available]	low	0	0	polyprenyl diphosphate	Escherichia coli metabolite; mouse metabolite
1,5-dihydro-fad	[no description available]	low	0	0	flavin adenine dinucleotide	Escherichia coli metabolite; mouse metabolite
s-hydroxymethylglutathione	[no description available]	low	0	0	S-substituted glutathione	Escherichia coli metabolite; mouse metabolite
4-phosphoerythronate	[no description available]	low	0	0	4-phosphoerythronic acid	Escherichia coli metabolite; mouse metabolite
malonyl coenzyme a	[no description available]	low	0	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
sucrose-6-phosphate	[no description available]	low	0	0	disaccharide phosphate	Escherichia coli metabolite
palmitoyl coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; 3-substituted propionyl-CoA; long-chain fatty acyl-CoA; palmitoyl bioconjugate	Escherichia coli metabolite; mouse metabolite
fusidic acid	[no description available]	low	0	0	11alpha-hydroxy steroid; 3alpha-hydroxy steroid; alpha,beta-unsaturated monocarboxylic acid; steroid acid; steroid antibiotic; sterol ester	EC 2.7.1.33 (pantothenate kinase) inhibitor; Escherichia coli metabolite; protein synthesis inhibitor
iminoglycine	[no description available]	low	0	0	dehydroamino acid; imine; zwitterion	Escherichia coli metabolite
2-keto-3-deoxy-6-phosphogluconate	[no description available]	low	0	0	ketoaldonic acid phosphate	Escherichia coli metabolite
formyl-coenzyme a	[no description available]	low	0	0	acyl-CoA	Escherichia coli metabolite
3-deoxy-2-octulosonic acid(2)-lipid iv(a)	[no description available]	low	0	0	lipid As	Escherichia coli metabolite
phosphothreonine	[no description available]	low	0	0	L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid	Escherichia coli metabolite
maleamic acid	[no description available]	low	0	0	alpha,beta-unsaturated monocarboxylic acid; dicarboxylic acid monoamide	bacterial xenobiotic metabolite; Escherichia coli metabolite
retinol palmitate	[no description available]	low	0	0	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
canthaxanthin	[no description available]	low	0	0	carotenone	biological pigment; Escherichia coli metabolite; food colouring; fungal metabolite
(e)-4-hydroxy-3-methylbut-2-enyl diphosphate	[no description available]	low	0	0	prenol phosphate	epitope; Escherichia coli metabolite; phosphoantigen
5-ketogluconic acid	[no description available]	low	0	0	hexonic acid; ketoaldonic acid	Escherichia coli metabolite
oleoyl-coenzyme a	[no description available]	low	0	0	octadecenoyl-CoA	Escherichia coli metabolite; mouse metabolite
menaquinone 9	[no description available]	low	0	0	menaquinone	Escherichia coli metabolite
allolactose	[no description available]	low	0	0	glycosylglucose	Escherichia coli metabolite
1-deoxy-2-pentulose	[no description available]	low	0	0	deoxypentose	Escherichia coli metabolite
fructosyl-lysine	[no description available]	low	0	0	fructosamine; glyco-amino acid	Escherichia coli metabolite
lipid a	[no description available]	low	0	0	dodecanoate ester; lipid A; tetradecanoate ester	Escherichia coli metabolite
methionine sulfoxide	[no description available]	low	0	0	amino acid zwitterion; L-methionine S-oxide	Escherichia coli metabolite
(S)-4,5-dihydroxypentane-2,3-dione	[no description available]	low	0	0	alpha-diketone; secondary alpha-hydroxy ketone	Escherichia coli metabolite
kdo2-lipid a	[no description available]	low	0	0	dodecanoate ester; lipid As; tetradecanoate ester	Escherichia coli metabolite
oxalyl-coenzyme a	[no description available]	low	0	0	omega-carboxyacyl-CoA	Escherichia coli metabolite
s-tetradecanoyl-coenzyme a	[no description available]	low	0	0	11,12-saturated fatty acyl-CoA; long-chain fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
novobiocin	[no description available]	low	0	0	carbamate ester; ether; hexoside; hydroxycoumarin; monocarboxylic acid amide; monosaccharide derivative; phenols	antibacterial agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; Escherichia coli metabolite; hepatoprotective agent
diguanosine tetraphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-tetraphosphate	Escherichia coli metabolite; mouse metabolite
2'-deoxyguanosine 5'-phosphate	[no description available]	low	0	0	deoxyguanosine phosphate; guanyl deoxyribonucleotide; purine 2'-deoxyribonucleoside 5'-monophosphate	Escherichia coli metabolite; mouse metabolite
dihydrofolate	[no description available]	low	0	0	dihydrofolic acids	Escherichia coli metabolite; mouse metabolite
dihydroneopterin triphosphate	[no description available]	low	0	0	dihydropterin; neopterins; pterin phosphate	Escherichia coli metabolite; mouse metabolite
2'-deoxyinosine triphosphate	[no description available]	low	0	0	deoxyinosine phosphate; purine 2'-deoxyribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
gdp-4-keto-6-deoxymannose	[no description available]	low	0	0	GDP-sugar	Escherichia coli metabolite; mouse metabolite
guanosine pentaphosphate	[no description available]	low	0	0	guanosine 5'-phosphate; guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
guanosine monophosphate	[no description available]	low	0	0	guanosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	biomarker; Escherichia coli metabolite; metabolite; mouse metabolite
guanosine tetraphosphate	[no description available]	low	0	0	guanosine bisphosphate	Escherichia coli metabolite; mouse metabolite
queuine	[no description available]	low	0	0	pyrrolopyrimidine	Escherichia coli metabolite
3'-guanylic acid	[no description available]	low	0	0	guanosine 3'-phosphate; purine ribonucleoside 3'-monophosphate	Escherichia coli metabolite
2',3'-cyclic gmp	[no description available]	low	0	0	2',3'-cyclic purine nucleotide	Escherichia coli metabolite
leucovorin	[no description available]	low	0	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
5,10-methenyltetrahydrofolate	[no description available]	low	0	0	methylenetetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
10-formyltetrahydrofolate	[no description available]	low	0	0	formyltetrahydrofolic acid	Escherichia coli metabolite; mouse metabolite
colibactin	[no description available]	low	0	0	1,3-thiazoles; azaspiro compound; polyketide; pyrroline; secondary carboxamide	alkylating agent; carcinogenic agent; Escherichia coli metabolite; genotoxin
alpha-hydroxyglutarate	[no description available]	low	0	0	2-hydroxydicarboxylic acid; dicarboxylic fatty acid	metabolite; mouse metabolite
alpha-ketoadipic acid	[no description available]	low	0	0	oxo dicarboxylic acid	human urinary metabolite; mouse metabolite
n-carbamoyl-beta-alanine	[no description available]	low	0	0	beta-alanine derivative	metabolite; mouse metabolite
4-hydroxybenzaldehyde	[no description available]	low	0	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
ethylene glycol	[no description available]	low	0	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
allantoic acid	[no description available]	low	0	0	ureas	mouse metabolite; plant metabolite
hydrobromic acid	[no description available]	low	0	0	gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
1,2-dihydroxy-1,2-dihydronaphthalene	[no description available]	low	0	0	dihydronaphthalenes; naphthalenediols	bacterial xenobiotic metabolite; mouse metabolite
4-nitrophenylphosphate	[no description available]	low	0	0	aryl phosphate	mouse metabolite
phosphonoacetaldehyde	[no description available]	low	0	0	phosphonic acids	mouse metabolite
diethyl phosphate	[no description available]	low	0	0	dialkyl phosphate	human xenobiotic metabolite; mouse metabolite
o,o-diethyl phosphorothionate	[no description available]	low	0	0	organic thiophosphate	human xenobiotic metabolite; mouse metabolite
carbonic acid	[no description available]	low	0	0	carbon oxoacid; chalcocarbonic acid	mouse metabolite
hydantoin-5-propionic acid	[no description available]	low	0	0	imidazolidine-2,4-dione; monocarboxylic acid	metabolite; mouse metabolite
lactaldehyde	[no description available]	low	0	0	hydroxyaldehyde; propanals	mouse metabolite
naphthalene	[no description available]	low	0	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
hydroxide ion	[no description available]	low	0	0	oxygen hydride	mouse metabolite
4-nitrophenol	[no description available]	low	0	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
parathion	[no description available]	low	0	0	C-nitro compound; organic thiophosphate; organothiophosphate insecticide	acaricide; agrochemical; avicide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; mouse metabolite
phenanthrene	[no description available]	low	0	0	ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes	environmental contaminant; mouse metabolite
phenol	[no description available]	low	0	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
propylene glycol	[no description available]	low	0	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
6-hydroxymelatonin	[no description available]	low	0	0	acetamides; tryptamines	metabolite; mouse metabolite
adrenic acid	[no description available]	low	0	0	docosatetraenoic acid	mouse metabolite
benzo(a)pyrene	[no description available]	low	0	0	ortho- and peri-fused polycyclic arene	carcinogenic agent; mouse metabolite
caffeine	[no description available]	low	0	0	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
chloral hydrate	[no description available]	low	0	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
1,7-dimethylxanthine	[no description available]	low	0	0	dimethylxanthine	central nervous system stimulant; human blood serum metabolite; human xenobiotic metabolite; mouse metabolite
theobromine	[no description available]	low	0	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
1-naphthaldehyde	[no description available]	low	0	0	naphthaldehyde	mouse metabolite
2-naphthaldehyde	[no description available]	low	0	0	naphthaldehyde	mouse metabolite
ethylene oxide	[no description available]	low	0	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
vinylidene chloride	[no description available]	low	0	0	chloroethenes	carcinogenic agent; mouse metabolite; mutagen
trichloroacetaldehyde	[no description available]	low	0	0	aldehyde; organochlorine compound	mouse metabolite
gibberellic acid	[no description available]	low	0	0	C19-gibberellin; gibberellin monocarboxylic acid; lactone; organic heteropentacyclic compound	mouse metabolite; plant metabolite
trichloroethylene	[no description available]	low	0	0	chloroethenes	inhalation anaesthetic; mouse metabolite
1-nitronaphthalene	[no description available]	low	0	0	mononitronaphthalene	environmental contaminant; mouse metabolite
beta-glucono-1,5-lactone	[no description available]	low	0	0	aldono-1,5-lactone; gluconolactone	animal metabolite; mouse metabolite
2-naphthoic acid	[no description available]	low	0	0	naphthoic acid	mouse metabolite; xenobiotic metabolite
methylphenyl carbinol	[no description available]	low	0	0	aromatic alcohol	mouse metabolite
4-hydroxyacetophenone	[no description available]	low	0	0	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
2-phenylacetamide	[no description available]	low	0	0	monocarboxylic acid amide	mouse metabolite
4-bromophenol	[no description available]	low	0	0	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
ethylene dibromide	[no description available]	low	0	0	bromoalkane; bromohydrocarbon	algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen
bromobenzene	[no description available]	low	0	0	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
2-heptanone	[no description available]	low	0	0	dialkyl ketone; methyl ketone	mouse metabolite; pheromone
2,2,2-trichloroethanol	[no description available]	low	0	0	chloroethanol	mouse metabolite
D-proline	[no description available]	low	0	0	D-alpha-amino acid zwitterion; D-alpha-amino acid; proline	mouse metabolite
paraoxon	[no description available]	low	0	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
aminoimidazole carboxamide	[no description available]	low	0	0	aminoimidazole; monocarboxylic acid amide	mouse metabolite
methyl-4-tyramine	[no description available]	low	0	0	tyramines	mouse metabolite
fructose-1,6-diphosphate	[no description available]	low	0	0	D-fructofuranose 1,6-bisphosphate	mouse metabolite
hydroxyhydroquinone	[no description available]	low	0	0	benzenetriol	mouse metabolite
1,2-dihydroxynaphthalene	[no description available]	low	0	0	naphthalenediol	mouse metabolite
propiolaldehyde	[no description available]	low	0	0	terminal acetylenic compound; ynal	mouse metabolite
phenylphosphate	[no description available]	low	0	0	aryl phosphate	mouse metabolite
n-cyclohexylformamide	[no description available]	low	0	0	alicyclic compound; formamides	mouse metabolite
dihydroferulic acid	[no description available]	low	0	0	guaiacols; monocarboxylic acid; phenylpropanoid	antioxidant; human xenobiotic metabolite; mouse metabolite; plant metabolite
uridine diphosphate galactose	[no description available]	low	0	0	UDP-D-galactose	mouse metabolite
1-naphthalenemethanol	[no description available]	low	0	0	naphthylmethanol	mouse metabolite
hydroiodic acid	[no description available]	low	0	0	gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
trichloroepoxyethane	[no description available]	low	0	0	epoxide	mouse metabolite
cyromazine	[no description available]	low	0	0	triamino-1,3,5-triazine	mouse metabolite; triazine insecticide
obtusifoliol	[no description available]	low	0	0	14alpha-methyl steroid; 3beta-sterol	mouse metabolite; plant metabolite
7-methylxanthine	[no description available]	low	0	0	oxopurine; purine alkaloid	human xenobiotic metabolite; mouse metabolite; plant metabolite
n'-methyl-2-pyridone-5-carboxamide	[no description available]	medium	0	0	methylpyridines; pyridinecarboxamide; pyridone	metabolite; mouse metabolite
1-methyluric acid	[no description available]	low	0	0	oxopurine	human xenobiotic metabolite; mouse metabolite
cyclopropylamine	[no description available]	low	0	0	primary aliphatic amine	mouse metabolite
6-hydroxynicotinic acid	[no description available]	medium	0	0	monohydroxypyridine	Arabidopsis thaliana metabolite; human urinary metabolite; mouse metabolite
2-naphthalenemethanol	[no description available]	low	0	0	naphthylmethanol	mouse metabolite; xenobiotic metabolite
glucose	[no description available]	low	0	0	D-glucopyranose	mouse metabolite
1,3,7-trimethylurate	[no description available]	low	0	0	oxopurine	human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; mouse metabolite
1-methylxanthine	[no description available]	low	0	0	1-methylxanthine	mouse metabolite
3,7-dimethyluric acid	[no description available]	low	0	0	oxopurine	metabolite; mouse metabolite
biocytin	[no description available]	low	0	0	azabicycloalkane; L-alpha-amino acid zwitterion; L-lysine derivative; monocarboxylic acid amide; non-proteinogenic L-alpha-amino acid; thiabicycloalkane; ureas	mouse metabolite
d-aspartic acid	[no description available]	low	0	0	aspartic acid; D-alpha-amino acid	mouse metabolite
3,4-dihydroxyphenylglycol	[no description available]	low	0	0	catechols; tetrol	metabolite; mouse metabolite
1,7-dimethyluric acid	[no description available]	low	0	0	oxopurine	human xenobiotic metabolite; mouse metabolite
24-methylenecholesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol	mouse metabolite
2,8-dihydroxyadenine	[no description available]	low	0	0	6-aminopurines; diol; heteroaryl hydroxy compound; oxopurine	human urinary metabolite; mammalian metabolite; mouse metabolite; nephrotoxic agent
21-deoxycortisol	[no description available]	low	0	0	11beta-hydroxy steroid; 17alpha-hydroxy-C21-steroid; deoxycortisol; tertiary alpha-hydroxy ketone	human blood serum metabolite; mouse metabolite
imidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
1-hydroxyphenanthrene	[no description available]	low	0	0	phenanthrol	mouse metabolite
2,5-dihydroxypyridine	[no description available]	low	0	0	dihydroxypyridine	mouse metabolite
cerium	[no description available]	low	0	0	cholesteryl ester	mouse metabolite
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol	[no description available]	low	0	0	carbobicyclic compound; pinane monoterpenoid; secondary alcohol	GABA modulator; mouse metabolite; plant metabolite; volatile oil component
ecgonine methyl ester	[no description available]	low	0	0	methyl ester; tertiary amino compound; tropane alkaloid	analgesic; central nervous system depressant; metabolite; mouse metabolite; opioid analgesic; peripheral nervous system drug
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine	[no description available]	low	0	0	hydroxylamine; imidazopyridine	carcinogenic agent; genotoxin; human xenobiotic metabolite; mouse metabolite; mutagen; neurotoxin; rat metabolite
cholest-5-en-3 beta,7 alpha-diol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 7alpha-hydroxy steroid; oxysterol	mouse metabolite
s-chloromethylglutathione	[no description available]	low	0	0	organochlorine compound; S-substituted glutathione	alkylating agent; bacterial xenobiotic metabolite; mouse metabolite
5-acetylamino-6-formylamino-3-methyluracil	[no description available]	low	0	0	formamidopyrimidine	mouse metabolite
anserine	[no description available]	low	0	0	beta-alanine derivative; dipeptide; zwitterion	animal metabolite; mouse metabolite
5,6-dihydroxyindole	[no description available]	low	0	0	dihydroxyindole	mouse metabolite
5,6-dihydroxy-2-indolylcarboxylic acid	[no description available]	low	0	0	dihydroxyindole	mouse metabolite
inositol-3,4,5,6-tetrakisphosphate	[no description available]	low	0	0	myo-inositol tetrakisphosphate	mouse metabolite
24-hydroxycholesterol	[no description available]	low	0	0	24-hydroxycholesterol	biomarker; human blood serum metabolite; mouse metabolite
n-acetylputrescine	[no description available]	low	0	0	N-monoacetylalkane-alpha,omega-diamine; N-substituted putrescine	metabolite; mouse metabolite
cdp ethanolamine	[no description available]	low	0	0	nucleotide-(amino alcohol)s; phosphoethanolamine	mouse metabolite
1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 30:0; tetradecanoate ester	mouse metabolite
d-glutamine	[no description available]	low	0	0	amino acid zwitterion; D-alpha-amino acid; glutamine	mouse metabolite
diquafosol	[no description available]	low	0	0	pyrimidine ribonucleoside 5'-tetraphosphate; uridine 5'-phosphate	mouse metabolite; P2Y2 receptor agonist
19-hydroxytestosterone	[no description available]	low	0	0	17beta-hydroxy steroid; 19-hydroxy steroid; 3-oxo-Delta(4) steroid	mouse metabolite
2-hydroxy-1,4-benzoquinone	[no description available]	low	0	0	monohydroxy-1,4-benzoquinones	mouse metabolite
hydromethylthionine	[no description available]	low	0	0	aromatic amine; phenothiazines; tertiary amino compound	bacterial xenobiotic metabolite; fluorochrome; mouse metabolite; rat metabolite
5-hydroxykynuramine	[no description available]	low	0	0	hydroxykynurenamine; primary amino compound	mouse metabolite
diadenosine triphosphate	[no description available]	low	0	0	diadenosyl triphosphate	mouse metabolite
isovaleryl-coenzyme a	[no description available]	low	0	0	methylbutanoyl-CoA; short-chain fatty acyl-CoA	mouse metabolite
campesterol	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C28-steroid; phytosterols	mouse metabolite
sitosterol, (3beta)-isomer	[no description available]	low	0	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; C29-steroid; phytosterols; stigmastane sterol	anticholesteremic drug; antioxidant; mouse metabolite; plant metabolite; sterol methyltransferase inhibitor
androstane-3,17-dione, (5alpha)-isomer	[no description available]	low	0	0	3-oxo-5alpha-steroid; androstane-3,17-dione	mouse metabolite
21-hydroxypregnenolone	[no description available]	low	0	0	21-hydroxy steroid; hydroxypregnenolone; primary alpha-hydroxy ketone	mouse metabolite
epietiocholanolone	[no description available]	low	0	0	17-oxo steroid; 3beta-hydroxy steroid; androstanoid	androgen; animal metabolite; human blood serum metabolite; mouse metabolite; rat metabolite
19-hydroxy-4-androstene-3,17-dione	[no description available]	low	0	0	17-oxo steroid; 19-hydroxy steroid; 3-oxo steroid; androstanoid	mouse metabolite
glyceraldehyde 3-phosphate	[no description available]	low	0	0	glyceraldehyde 3-phosphate	mouse metabolite
galactose	[no description available]	low	0	0	D-galactopyranose	epitope; mouse metabolite
galactose	[no description available]	low	0	0	D-galactopyranose	mouse metabolite
inositol 1,4,5-trisphosphate	[no description available]	low	0	0	myo-inositol trisphosphate	mouse metabolite
stachyose	[no description available]	low	0	0	raffinose family oligosaccharide; tetrasaccharide	mouse metabolite; plant metabolite
ketodihydrosphingosine	[no description available]	low	0	0	2-amino-1-hydroxyoctadecan-3-one	mouse metabolite
androstane-3,17-dione, (5beta)-isomer	[no description available]	low	0	0	3-oxo-5beta-steroid; androstane-3,17-dione	mouse metabolite
dehydroascorbic acid	[no description available]	low	0	0	dehydroascorbic acid; vitamin C	coenzyme; mouse metabolite
beta-sulfopyruvic acid	[no description available]	low	0	0	carboxyalkanesulfonic acid	mouse metabolite
2-hydroxypropylphosphonic acid	[no description available]	low	0	0	phosphonic acids; secondary alcohol	mouse metabolite
inositol-1,4,5,6-tetrakisphosphate	[no description available]	low	0	0	myo-inositol tetrakisphosphate	mouse metabolite
maleic acid	[no description available]	low	0	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
prostaglandin h2	[no description available]	low	0	0	olefinic compound; oxylipin; prostaglandins H; secondary alcohol	mouse metabolite
cocaine	[no description available]	low	0	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
eicosapentaenoic acid	[no description available]	low	0	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
geranylgeranyl pyrophosphate	[no description available]	low	0	0	geranylgeranyl diphosphate	mouse metabolite
cytidine monophosphate n-acetylneuraminic acid	[no description available]	low	0	0	CMP-N-acyl-beta-neuraminic acid	mouse metabolite
colfosceril palmitate	[no description available]	low	0	0	1-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:0	mouse metabolite; surfactant
lyso-pc	[no description available]	low	0	0	1-O-acyl-sn-glycero-3-phosphocholine; lysophosphatidylcholine 16:0	mouse metabolite
trans-4-coumaric acid	[no description available]	low	0	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
3-hydroxybutyryl-coenzyme a	[no description available]	low	0	0	3-hydroxyacyl-CoA; hydroxybutanoyl-CoA	mouse metabolite
dihydrosphingosine 1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	mouse metabolite
caffeic acid	[no description available]	low	0	0	caffeic acid	geroprotector; mouse metabolite
coniferyl alcohol	[no description available]	low	0	0	guaiacols; phenylpropanoid	animal metabolite; monolignol; mouse metabolite; pheromone; plant metabolite; volatile oil component
raphanusamic acid	[no description available]	low	0	0	thiazolidinemonocarboxylic acid	Arabidopsis thaliana metabolite; mouse metabolite; xenobiotic metabolite
glutaryl-coenzyme a	[no description available]	low	0	0	glutaryl-CoAs	mouse metabolite
thromboxane a2	[no description available]	low	0	0	epoxy monocarboxylic acid; thromboxanes A	mouse metabolite
arachidonic acid 5-hydroperoxide	[no description available]	low	0	0	5-HPETE	mouse metabolite
arachidonic acid omega-9 hydroperoxide	[no description available]	low	0	0	HPETE	mouse metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid, (s)-(e,z,z,z)-isomer	[no description available]	low	0	0	15-HPETE	mouse metabolite
alpha-linolenic acid	[no description available]	low	0	0	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical
1-palmitoyl-2-oleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; 1-palmitoyl-2-oleoylglycerol	mouse metabolite
epoprostenol	[no description available]	low	0	0	prostaglandins I	mouse metabolite
11,12-dihydroxyeicosatrienoic acid	[no description available]	low	0	0	DHET	mouse metabolite
14,15-dihydroxyeicosatrienoic acid	[no description available]	low	0	0	DHET; diol; secondary allylic alcohol	mouse metabolite
5,6-epoxy-8,11,14-eicosatrienoic acid	[no description available]	low	0	0	EET	mouse metabolite
8,9-epoxyeicosatrienoic acid	[no description available]	low	0	0	EET	mouse metabolite
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer	[no description available]	low	0	0	1,2-diacyl-sn-glycero-3-phosphoethanolamine; phosphatidylethanolamine 34:1 zwitterion; phosphatidylethanolamine	mouse metabolite
sphingosine 1-phosphate	[no description available]	low	0	0	sphingoid 1-phosphate	mouse metabolite; signalling molecule; sphingosine-1-phosphate receptor agonist; T-cell proliferation inhibitor; vasodilator agent
cholesteryl oleate	[no description available]	low	0	0	CE(18:1); cholesteryl octadec-9-enoate	mouse metabolite
stearidonic acid	[no description available]	low	0	0	long-chain fatty acid; octadecatetraenoic acid; omega-3 fatty acid	Daphnia galeata metabolite; mouse metabolite; plant metabolite
trilinolein	[no description available]	low	0	0	1,2-diacyl-3-linoleoylglycerol; 1,3-diacyl-2-linoleoylglycerol; linoleoyl containing 1,2,3-triacyl-sn-glycerol; TG(18:2/18:2/18:2); triglyceride	mouse metabolite
dimyristoylphosphatidylcholine	[no description available]	low	0	0	1,2-diacyl-sn-glycero-3-phosphocholine; phosphatidylcholine 28:0; tetradecanoate ester	antigen; mouse metabolite
monodehydroascorbate	[no description available]	low	0	0	organic radical	mouse metabolite
vitamin a2	[no description available]	low	0	0	retinoid; vitamin A	human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite
1,2-dioleoylphosphatidylserine	[no description available]	low	0	0	phosphatidylserine(18:1/18:1)	mouse metabolite
5-hydroxy-6,8,11,14,17-eicosapentaenoic acid	[no description available]	low	0	0	HEPE	mouse metabolite
1-stearoyl-2-linoleoylphosphatidylcholine	[no description available]	low	0	0	phosphatidylcholine 36:2	mouse metabolite
1-stearoyl-2-linoleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; diacylglycerol 36:2	mouse metabolite
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	phosphatidylcholine 38:6	mouse metabolite
13(S)-HODE	[no description available]	low	0	0	HODE	antineoplastic agent; human xenobiotic metabolite; mouse metabolite
1-stearoyl-2-oleoyl-sn-glycerol	[no description available]	low	0	0	1,2-diacyl-sn-glycerol; 1-stearoyl-2-oleoylglycerol; diacylglycerol 36:1	mouse metabolite
1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine	[no description available]	low	0	0	1-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine; phosphatidylcholine 32:1	mouse metabolite
13-oxo-9,11-octadecadienoic acid	[no description available]	low	0	0	13-oxo-9,11-octadecadienoic acid	metabolite; mouse metabolite
n-stearoylsphingomyelin	[no description available]	low	0	0	sphingomyelin 36:1; sphingomyelin d18:1	mouse metabolite
cholesteryl arachidonate	[no description available]	low	0	0	cholesteryl icosatetraenoate	antibacterial agent; mouse metabolite
acryloyl-coenzyme a	[no description available]	low	0	0	2-enoyl-CoA; monounsaturated fatty acyl-CoA	mouse metabolite
samarium	[no description available]	low	0	0	sphingomyelin d18:1/16:0	mouse metabolite
n-palmitoylgalactosylsphingosine	[no description available]	low	0	0	HexCer(d18:1/16:0); N-acyl-beta-D-galactosylsphingosine	mouse metabolite
prosomatostatin	[no description available]	low	0	0	heterodetic cyclic peptide; peptide hormone	fungal metabolite; mouse metabolite; rat metabolite
phosphatidylcholines	[no description available]	low	0	0	phosphatidylcholine 40:6	mouse metabolite
cyclosporine	[no description available]	low	0	0	keto-disaccharide	mouse metabolite
g(m3) ganglioside	[no description available]	low	0	0	alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; sialodiosylceramide; sialotriaosylceramide	mouse metabolite
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid	[no description available]	low	0	0	arenesulfonic acid; azobenzenes; methylpyridines; monohydroxypyridine; organic phosphate; pyridinecarbaldehyde	purinergic receptor P2X antagonist
3-pyridinaldehyde	[no description available]	low	0	0	pyridinecarbaldehyde
pyridoxal phosphate	[no description available]	low	0	0	pyridinecarbaldehyde
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	low	0	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
2,4-dimethylpyridine	[no description available]	low	0	0	methylpyridines
2,6-lutidine	[no description available]	low	0	0	methylpyridines
gamma-collidine	[no description available]	low	0	0	methylpyridines
1-methylpyridinium	[no description available]	low	0	0	methylpyridines
pyrithioxin	[no description available]	low	0	0	methylpyridines
pyritinol hydrochloride	[no description available]	low	0	0	methylpyridines
ac 263,222	[no description available]	low	0	0	imidazolines; imidazolone; methylpyridines; pyridinemonocarboxylic acid
2-(Hydroxymethyl)-6-methylpyridin-3-ol	[no description available]	low	0	0	methylpyridines
latrepirdine	[no description available]	low	0	0	methylpyridines; pyridoindole	geroprotector
2-methyl-3-hydroxypyridine-5-carboxylic acid	[no description available]	low	0	0	methylpyridines; monohydroxypyridine
5-bromo-N-(5-methyl-2-pyridinyl)-2-thiophenesulfonamide	[no description available]	low	0	0	methylpyridines
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)thiourea	[no description available]	low	0	0	methylpyridines
5-methyl-7-(trifluoromethyl)-2-thiazolo[4,5-b]pyridinamine	[no description available]	low	0	0	methylpyridines
6-methyl-2-(phenylethynyl)pyridine	[no description available]	low	0	0	acetylenic compound; methylpyridines	anxiolytic drug; metabotropic glutamate receptor antagonist
piericidin a	[no description available]	low	0	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
3-hydroxy-2-methyl-1-(phenylmethyl)-4-pyridinone	[no description available]	low	0	0	methylpyridines
sb-505124	[no description available]	low	0	0	benzodioxole; imidazoles; methylpyridines	TGFbeta receptor antagonist
ly-2157299	[no description available]	low	0	0	aromatic amide; methylpyridines; monocarboxylic acid amide; pyrrolopyrazole; quinolines	antineoplastic agent; TGFbeta receptor antagonist
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	[no description available]	low	0	0	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes
gsk2656157	[no description available]	low	0	0	biaryl; indoles; methylpyridines; organofluorine compound; pyrrolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor; PERK inhibitor
sotorasib	[no description available]	low	0	0	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent
pyrithione	[no description available]	low	0	0	monohydroxypyridine; pyridinethione	ionophore
2-hydroxypyridine	[no description available]	low	0	0	monohydroxypyridine	plant metabolite
4-hydroxypyridine	[no description available]	low	0	0	4-pyridones; monohydroxypyridine
3-hydroxypicolinic acid	[no description available]	low	0	0	monocarboxylic acid; monohydroxypyridine	MALDI matrix material
2-amino-3-hydroxypyridine	[no description available]	low	0	0	aminopyridine; monohydroxypyridine
6-hydroxynicotine	[no description available]	low	0	0	monohydroxypyridine
ilicicolin h	[no description available]	low	0	0	aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone	antimicrobial agent; mitochondrial respiratory-chain inhibitor

Article	Year
Relationship between structure and cytotoxicity of vanadium and molybdenum complexes with pyridoxal derived ligands. Journal of inorganic biochemistry, Volume: 235	2022
Efficacy and safety of pyridoxal in West syndrome: A retrospective study. Brain & development, Volume: 41, Issue: 5	2019
Iron(III) complexes of a pyridoxal Schiff base for enhanced cellular uptake with selectivity and remarkable photocytotoxicity. Inorganic chemistry, Apr-20, Volume: 54, Issue: 8	2015
In vitro cytotoxicity of the ternary PAMAM G3-pyridoxal-biotin bioconjugate. International journal of nanomedicine, Volume: 8	2013
Pyridoxal isonicotinoyl hydrazone (PIH) and its analogs as protectants against anthracycline-induced cardiotoxicity. Hemoglobin, Volume: 32, Issue: 1-2	2008
Future of toxicology--iron chelators and differing modes of action and toxicity: the changing face of iron chelation therapy. Chemical research in toxicology, Volume: 20, Issue: 5	2007
Iron is not involved in oxidative stress-mediated cytotoxicity of doxorubicin and bleomycin. British journal of pharmacology, Volume: 149, Issue: 7	2006
Cardioprotective effects of a novel iron chelator, pyridoxal 2-chlorobenzoyl hydrazone, in the rabbit model of daunorubicin-induced cardiotoxicity. The Journal of pharmacology and experimental therapeutics, Volume: 319, Issue: 3	2006
Safety and tolerability of repeated administration of pyridoxal 2-chlorobenzoyl hydrazone in rabbits. Human & experimental toxicology, Volume: 24, Issue: 11	2005
Study of daunorubicin cardiotoxicity prevention with pyridoxal isonicotinoyl hydrazone in rabbits. Pharmacological research, Volume: 51, Issue: 3	2005
Oxidative stress mediates toxicity of pyridoxal isonicotinoyl hydrazone analogs. Archives of biochemistry and biophysics, Jan-01, Volume: 421, Issue: 1	2004
Lipophilicity of analogs of pyridoxal isonicotinoyl hydrazone (PIH) determines the efflux of iron complexes and toxicity in K562 cells. Biochemical pharmacology, Feb-01, Volume: 65, Issue: 3	2003
The role of oxidative stress in the toxicity of pyridoxal isonicotinoyl hydrazone (PIH) analogues. Biochemical Society transactions, Volume: 30, Issue: 4	2002
Vitamin B6 phototoxicity induced by UVA radiation. Archives of dermatological research, Volume: 292, Issue: 11	2000
Efficacy and safety of hemoglobin-polyethylene glycol conjugate (pyridoxalated polyethylene glycol hemoglobin) as an oxygen-carrying resuscitation fluid. Artificial organs, Volume: 10, Issue: 6	1986
Mechanism of protection of alveolar type II cells against paraquat-induced cytotoxicity by deferoxamine. Biochemical pharmacology, Jun-01, Volume: 39, Issue: 11	1990
Toxicological study of pyridoxal isonicotinoyl hydrazone: acute and subchronic toxicity. Drug and chemical toxicology, Volume: 14, Issue: 4	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pyridoxal phosphate-unrelated inhibition of hippocampal glutamic acid decarboxylase by convulsant pyridoxal sulphate. Neurochemical research, Volume: 10, Issue: 3	1985
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Pharmacokinetic comparison of a delayed-release combination of doxylamine succinate and pyridoxine hydrocholoride (Diclectin) and oral solutions of these drugs in healthy women of childbearing age. The Canadian journal of clinical pharmacology = Journal canadien de pharmacologie clinique,Fall, Volume: 16, Issue: 3	2009
HPLC determination of a novel aroylhydrazone iron chelator (o-108) in rabbit plasma and its application to a pilot pharmacokinetic study. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jul-11, Volume: 838, Issue: 2	2006
Relationship between body store of vitamin B6 and plasma pyridoxal-P clearance: metabolic balance studies in humans. The Journal of laboratory and clinical medicine, Volume: 106, Issue: 5	1985
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
In Vitro and In Vivo Pharmacological Profiles of DS-1211, a Novel Potent, Selective, and Orally Bioavailable Tissue-Nonspecific Alkaline Phosphatase Inhibitor. Journal of bone and mineral research : the official journal of the American Society for Bone and Mineral Research, Volume: 37, Issue: 10	2022
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, Volume: 96, Issue: 5	2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens. The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46	2019
Determination and evaluation of in vitro bioaccessibility of the pyridoxal, pyridoxine, and pyridoxamine forms of vitamin B Food chemistry, Nov-15, Volume: 298	2019
Cellular uptake of the antitumor agent Dp44mT occurs via a carrier/receptor-mediated mechanism. Molecular pharmacology, Volume: 84, Issue: 6	2013
Pharmacokinetic comparison of a delayed-release combination of doxylamine succinate and pyridoxine hydrocholoride (Diclectin) and oral solutions of these drugs in healthy women of childbearing age. The Canadian journal of clinical pharmacology = Journal canadien de pharmacologie clinique,Fall, Volume: 16, Issue: 3	2009
Uptake, hydrolysis, and metabolism of pyridoxine-5'-beta-D-glucoside in Caco-2 cells. The Journal of nutrition, Volume: 134, Issue: 4	2004
Determination of total pyridoxal in human plasma following oral administration of vitamin B6 by high-performance liquid chromatography with post-column derivatization. Journal of pharmaceutical sciences, Volume: 82, Issue: 9	1993
Comparative human intestinal bioavailability of vitamin B-6 from a synthetic and a natural source. The Journal of nutrition, Volume: 106, Issue: 10	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Association of Pyridoxal 5'-Phosphate with Sleep-Related Problems in a General Population. Nutrients, Aug-26, Volume: 14, Issue: 17	2022
The PAr index, an indicator reflecting altered vitamin B-6 homeostasis, is associated with long-term risk of stroke in the general population: the Hordaland Health Study (HUSK). The American journal of clinical nutrition, 01-01, Volume: 107, Issue: 1	2018
Association of plasma B-6 vitamers with systemic markers of inflammation before and after pyridoxine treatment in patients with stable angina pectoris. The American journal of clinical nutrition, Volume: 95, Issue: 5	2012
Membrane metabolism mediated by Sec14 family members influences Arf GTPase activating protein activity for transport from the trans-Golgi. Proceedings of the National Academy of Sciences of the United States of America, Sep-06, Volume: 102, Issue: 36	2005
Differential scanning calorimetry and scanning thermal microscopy analysis of pharmaceutical materials. International journal of pharmaceutics, Aug-28, Volume: 243, Issue: 1-2	2002
Transferrin is necessary and sufficient for the neural effect on growth in amphibian limb regeneration blastemas. Development, growth & differentiation, Volume: 39, Issue: 6	1997
[Effects of D-penicillamine on vitamin B6 and metal ions in rats (author's transl)]. Nihon yakurigaku zasshi. Folia pharmacologica Japonica, Volume: 76, Issue: 1	1980
Mechanism of in vivo iron chelation by pyridoxal isonicotinoyl hydrazone and other imino derivatives of pyridoxal. The Journal of laboratory and clinical medicine, Volume: 98, Issue: 1	1981
Growth response of the yeasts Saccharomyces uvarum and Kloeckera brevis to the free biologically active forms of vitamin B-6. The Journal of nutrition, Volume: 110, Issue: 5	1980
Effects of epsilon-pyridoxyllysine bound to dietary protein on the vitamin B-6 status of rats. The Journal of nutrition, Volume: 110, Issue: 5	1980
Effectiveness of oral iron chelators assayed in the rat. American journal of hematology, Volume: 24, Issue: 3	1987
Clinical evaluation of 99mTc-pyridoxylideneglutamate for hepatobiliary scanning. American journal of surgery, Volume: 132, Issue: 6	1976
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Attenuating action of taurine and labetalol on cardiovascular alterations by pyridoxal-isoproterenol, a vitamin-drug interaction with cardiopathologic significance. Advances in experimental medicine and biology, Volume: 643	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

pyridoxal

Cross-References

Synonyms (60)

Research Excerpts

Overview

Effects

Actions

Treatment

Roles (5)

Drug Classes (5)

Pathways (22)

Protein Targets (15)

Potency Measurements

Inhibition Measurements

Other Measurements

Biological Processes (5)

Molecular Functions (17)

Ceullar Components (7)

Bioassays (49)

Research

Studies (1,098)

Study Types