malonic acid profile

malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. [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]

dicarboxylic acid : Any carboxylic acid containing two carboxy groups. [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]

Pathways (3)

malonic acid is involved in 3 pathway(s), involving a total of 24 unique proteins and 544 unique compounds

ID Source	ID
PubMed CID	867
CHEMBL ID	7942
CHEBI ID	30794
SCHEMBL ID	1471092
SCHEMBL ID	336
MeSH ID	M0095922

Synonym
dicarboxymethane
methanedicarboxylic acid
wln: qv1vq
nsc8124 ,
carboxyacetic acid
usaf ek-695
nsc-8124
h2malo
CHEBI:30794 ,
hooc-ch2-cooh
LMFA01170041
MLI ,
propanedioic acid malonic acid
inchi=1/c3h4o4/c4-2(5)1-3(6)7/h1h2,(h,4,5)(h,6,7
malonic acid (8ci)
1,3-propanedioic acid
ai3-15375
propanedioic acid (9ci)
kyselina malonova [czech]
einecs 205-503-0
brn 1751370
nsc 8124
propanedioic acid
141-82-2
C04025
C00383
alpha,omega-dicarboxylic acid
C02028
dicarboxylic acid
MALONATE ,
dicarboxylate ,
malonic acid
propanediolic acid
metahnedicarboxylic acid
malonic acid, reagentplus(r), 99%
1O4M
bdbm14673
2FAH
DB02175
592A9849-68C3-4635-AA3D-CBC44965EA3A
CHEMBL7942
FT-0690260
FT-0693474
M0028
AKOS000119034
NCGC00248681-01
dtxcid401659
tox21_200534
cas-141-82-2
dtxsid7021659 ,
NCGC00258088-01
SCHEMBL1471092
c3h4o4
propane-1,3-dioic acid
kyselina malonova
hsdb 8437
unii-9kx7zmg0mk
9kx7zmg0mk ,
4-02-00-01874 (beilstein handbook reference)
BP-11453
FT-0628128
FT-0628127
malonic acid [mi]
malonic acid [inci]
S3029
SCHEMBL336
F1908-0177
malonicacid
ch2(cooh)2
methanedicarbonic acid
STR00614
mfcd00002707
J-521669
malonic acid, anhydrous, free-flowing, redi-dri(tm), reagentplus(r), 99%
malonic acid, certified reference material, tracecert(r)
malonic acid, sublimed grade, >=99.95% trace metals basis
malonic acid, saj first grade, >=99.0%
malonic acid, analytical standard
AC8295
malonic acid, 99%
malonic acid, vetec(tm) reagent grade, 98%
Z57965450
malonate dicarboxylic acid
propanedioic acid dithallium salt
LML ,
dicarboxylic acid c3; propanediolic acid; methanedicarboxylic acid
CS-W019962
BCP05571
Q421972
1,3-propanoic acid
SY001875
AMY11201
STL194278
malonic acid, 99.5%
EN300-18457

Excerpt	Reference
"Malonic aciduria is an extremely rare inborn error of metabolism due to malonyl-CoA decarboxylase deficiency. "	( Abily-Donval, L; Bekri, S; Goldenberg, A; Marret, S; Salomons, GS; Snanoudj, S; Sudrié-Arnaud, B; Tebani, A; Torre, S, 2021)
"Malonic acid is a reversible inhibitor of mitochondrial enzyme complex-II, induces energy crisis and free radical generation."	( Yuan, C; Zhao, Y; Zheng, L, 2022)
"Malonic acid (MA) is a reversible inhibitor of succinate dehydrogenase (SDH) which induces mitochondrial dysfunction followed by secondary excitotoxicity and apoptosis due to generation of reactive oxygen species. "	( Kalonia, H; Kumar, A; Mishra, J; Sharma, N, 2013)
"Malonic acidaemia is an inborn error of metabolism that accumulates malonate, a competitive succinate dehydrogenase (SDH; EC 1.3.99.1) inhibitor. "	( Fleck, J; Mello, CF; Ribeiro, MC; Rubin, MA; Schneider, CM; Sinhorin, VD, 2004)
"Malonic aciduria is a rare autosomal recessive disorder caused by deficiency of malonyl-CoA decarboxylase, encoded by the MLYCD gene. "	( Ciani, F; Donati, MA; Genuardi, M; la Marca, G; Malvagia, S; Morrone, A; Papi, L; Pasquini, E; Scholte, HR; Zammarchi, E, 2007)

Excerpt	Reference
"Malonic acid derivatives have been successfully applied in a Ag-catalyzed decarboxylative fluorination reaction, providing an unprecedented route to either gem-difluoroalkanes or α-fluorocarboxylic acids by the judicious selection of base and solvent. "	( Chen, JP; Guo, CY; Wang, Z; Yang, C, 2019)
"Malonic acid has been observed in the free troposphere and as a component of tropospheric aerosol, among other dicarboxylic acids. "	( Beyer, KD; Reusch, B; Richardson, M, 2011)
"N-Malonic acid conjugates have been previously isolated from peanut either as a natural constituent or after feeding with xenobiotics."	( Feser, C; Heller, W; Matern, U, 1984)

Role	Description
human metabolite	Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
[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
alpha,omega-dicarboxylic acid
[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
Leucine, isoleucine and valine metabolism	24	70
fatty acid u03C9-oxidation	0	8
Biochemical pathways: part I	0	466

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	54.5935	0.0060	38.0041	19,952.5996	AID1159521
GLI family zinc finger 3	Homo sapiens (human)	Potency	0.2173	0.0007	14.5928	83.7951	AID1259369
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	47.8777	0.0010	22.6508	76.6163	AID1224838; AID1224839; AID1224893
glucocorticoid receptor [Homo sapiens]	Homo sapiens (human)	Potency	43.7533	0.0002	14.3764	60.0339	AID720692
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	0.0971	0.0015	30.6073	15,848.9004	AID1224841
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a	Homo sapiens (human)	Potency	9.7952	19.7391	45.9784	64.9432	AID1159509
nuclear factor erythroid 2-related factor 2 isoform 1	Homo sapiens (human)	Potency	19.3705	0.0006	27.2152	1,122.0200	AID743219
[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)
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Proto-oncogene Tyrosine-protein Kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	3,500.0000	30,875.0000	40,000.0000	AID977608
Chain A, Phosphoenolpyruvate carboxykinase	Gallus gallus (chicken)	Ki	50,000.0000	50,000.0000	50,000.0000	50,000.0000	AID977610
D-aspartate oxidase	Rattus norvegicus (Norway rat)	Ki	1,562.0000	5.8900	5.8900	5.8900	AID1247847
Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	0.0002	0.5335	10.0000	AID1797268; AID224309
D-amino-acid oxidase	Homo sapiens (human)	IC50 (µMol)	10,000.0000	0.0040	1.1199	10.0000	AID1247844; AID726222
D-aspartate oxidase	Mus musculus (house mouse)	Ki	1,220.0000	8.6900	8.6900	8.6900	AID1247848
D-aspartate oxidase	Homo sapiens (human)	IC50 (µMol)	1,117.0000	0.0040	0.3937	0.8550	AID1247843; AID726223
D-aspartate oxidase	Homo sapiens (human)	Ki	153.0000	3.8000	3.8000	3.8000	AID1247846
[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)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
lactate metabolic process	L-lactate dehydrogenase A chain	Homo sapiens (human)
pyruvate metabolic process	L-lactate dehydrogenase A chain	Homo sapiens (human)
glycolytic process	L-lactate dehydrogenase A chain	Homo sapiens (human)
peptidyl-tyrosine phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
primary ovarian follicle growth	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of cytokine production	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
stimulatory C-type lectin receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of inflammatory response to antigenic stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
signal complex assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
epidermal growth factor receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
integrin-mediated signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
spermatogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
learning or memory	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to xenobiotic stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to mechanical stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to acidic pH	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of gene expression	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of epithelial cell migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of epithelial cell migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of glucose metabolic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein processing	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
skeletal muscle cell proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of smooth muscle cell migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
macroautophagy	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
peptidyl-tyrosine phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of cell-cell adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
platelet activation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
forebrain development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
T cell costimulation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of protein-containing complex assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein destabilization	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to nutrient levels	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to insulin stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of intracellular estrogen receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of integrin activation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of toll-like receptor 3 signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
adherens junction organization	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
substrate adhesion-dependent cell spreading	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of dephosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of hippo signaling	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
intracellular signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
entry of bacterium into host cell	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
osteoclast development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to platelet-derived growth factor stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
Fc-gamma receptor signaling pathway involved in phagocytosis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ERBB2 signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
angiotensin-activated signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
odontogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of apoptotic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of apoptotic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of vascular permeability	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
stress fiber assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
transcytosis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of bone resorption	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
bone resorption	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of Notch signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of bone resorption	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of Ras protein signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of insulin receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein autophosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
platelet-derived growth factor receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
vascular endothelial growth factor receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
neurotrophin TRK receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ephrin receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
focal adhesion assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
oogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
progesterone receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
leukocyte migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of small GTPase mediated signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein transport	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to mineralocorticoid	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
myoblast proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to electrical stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of focal adhesion assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of mitochondrial depolarization	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of telomerase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
uterus development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
branching involved in mammary gland duct morphogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of cell projection assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
intestinal epithelial cell development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
interleukin-6-mediated signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to hydrogen peroxide	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to interleukin-1	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to lipopolysaccharide	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to peptide hormone stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to progesterone stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to fatty acid	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to hypoxia	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to fluid shear stress	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of podosome assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
DNA biosynthetic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein serine/threonine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of canonical Wnt signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell-cell adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein localization to nucleus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of non-membrane spanning protein tyrosine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of TORC1 signaling	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of vascular associated smooth muscle cell proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to prolactin	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of male germ cell proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of ovarian follicle development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of lamellipodium morphogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of platelet-derived growth factor receptor-beta signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of early endosome to late endosome transport	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of anoikis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of extrinsic apoptotic signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of caveolin-mediated endocytosis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell differentiation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
innate immune response	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
symbiont entry into host cell	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
proline catabolic process	D-amino-acid oxidase	Homo sapiens (human)
digestion	D-amino-acid oxidase	Homo sapiens (human)
D-amino acid catabolic process	D-amino-acid oxidase	Homo sapiens (human)
D-serine catabolic process	D-amino-acid oxidase	Homo sapiens (human)
dopamine biosynthetic process	D-amino-acid oxidase	Homo sapiens (human)
D-alanine catabolic process	D-amino-acid oxidase	Homo sapiens (human)
D-serine metabolic process	D-amino-acid oxidase	Homo sapiens (human)
neutrophil-mediated killing of gram-negative bacterium	D-amino-acid oxidase	Homo sapiens (human)
insemination	D-aspartate oxidase	Homo sapiens (human)
grooming behavior	D-aspartate oxidase	Homo sapiens (human)
regulation of cell communication	D-aspartate oxidase	Homo sapiens (human)
D-amino acid catabolic process	D-aspartate oxidase	Homo sapiens (human)
hormone metabolic process	D-aspartate oxidase	Homo sapiens (human)
nervous system process	D-aspartate oxidase	Homo sapiens (human)
aspartate catabolic process	D-aspartate oxidase	Homo sapiens (human)
L-serine metabolic process	Serine racemase	Homo sapiens (human)
serine family amino acid metabolic process	Serine racemase	Homo sapiens (human)
response to xenobiotic stimulus	Serine racemase	Homo sapiens (human)
response to organic cyclic compound	Serine racemase	Homo sapiens (human)
response to lipopolysaccharide	Serine racemase	Homo sapiens (human)
pyruvate biosynthetic process	Serine racemase	Homo sapiens (human)
D-serine metabolic process	Serine racemase	Homo sapiens (human)
D-serine biosynthetic process	Serine racemase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
L-lactate dehydrogenase activity	L-lactate dehydrogenase A chain	Homo sapiens (human)
protein binding	L-lactate dehydrogenase A chain	Homo sapiens (human)
identical protein binding	L-lactate dehydrogenase A chain	Homo sapiens (human)
cadherin binding	L-lactate dehydrogenase A chain	Homo sapiens (human)
protein kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein tyrosine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
non-membrane spanning protein tyrosine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein kinase C binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
signaling receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
insulin receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
integrin binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ATP binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
phospholipase activator activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
enzyme binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
heme binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
nuclear estrogen receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
SH2 domain binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
phospholipase binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
transmembrane transporter binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cadherin binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ephrin receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ATPase binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
phosphoprotein binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
BMP receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
connexin binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
scaffold protein binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
D-amino-acid oxidase activity	D-amino-acid oxidase	Homo sapiens (human)
protein binding	D-amino-acid oxidase	Homo sapiens (human)
identical protein binding	D-amino-acid oxidase	Homo sapiens (human)
FAD binding	D-amino-acid oxidase	Homo sapiens (human)
protein binding	D-aspartate oxidase	Homo sapiens (human)
D-aspartate oxidase activity	D-aspartate oxidase	Homo sapiens (human)
D-glutamate oxidase activity	D-aspartate oxidase	Homo sapiens (human)
FAD binding	D-aspartate oxidase	Homo sapiens (human)
magnesium ion binding	Serine racemase	Homo sapiens (human)
L-serine ammonia-lyase activity	Serine racemase	Homo sapiens (human)
calcium ion binding	Serine racemase	Homo sapiens (human)
protein binding	Serine racemase	Homo sapiens (human)
ATP binding	Serine racemase	Homo sapiens (human)
D-serine ammonia-lyase activity	Serine racemase	Homo sapiens (human)
glycine binding	Serine racemase	Homo sapiens (human)
threonine racemase activity	Serine racemase	Homo sapiens (human)
PDZ domain binding	Serine racemase	Homo sapiens (human)
pyridoxal phosphate binding	Serine racemase	Homo sapiens (human)
serine racemase activity	Serine racemase	Homo sapiens (human)
identical protein binding	Serine racemase	Homo sapiens (human)
protein homodimerization activity	Serine racemase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	L-lactate dehydrogenase A chain	Homo sapiens (human)
cytosol	L-lactate dehydrogenase A chain	Homo sapiens (human)
membrane	L-lactate dehydrogenase A chain	Homo sapiens (human)
extracellular exosome	L-lactate dehydrogenase A chain	Homo sapiens (human)
oxidoreductase complex	L-lactate dehydrogenase A chain	Homo sapiens (human)
mitochondrion	L-lactate dehydrogenase A chain	Homo sapiens (human)
podosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
nucleoplasm	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cytoplasm	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
mitochondrion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
mitochondrial inner membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
lysosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
late endosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cytosol	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
actin filament	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
plasma membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
caveola	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
focal adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell junction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ruffle membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
neuronal cell body	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
dendritic growth cone	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
membrane raft	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
perinuclear region of cytoplasm	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
extracellular exosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
synaptic membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
glutamatergic synapse	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
postsynaptic specialization, intracellular component	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
dendritic filopodium	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
plasma membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
mitochondrial outer membrane	D-amino-acid oxidase	Homo sapiens (human)
extracellular region	D-amino-acid oxidase	Homo sapiens (human)
cytoplasm	D-amino-acid oxidase	Homo sapiens (human)
peroxisomal matrix	D-amino-acid oxidase	Homo sapiens (human)
cytosol	D-amino-acid oxidase	Homo sapiens (human)
cell projection	D-amino-acid oxidase	Homo sapiens (human)
presynaptic active zone	D-amino-acid oxidase	Homo sapiens (human)
cytoplasm	D-amino-acid oxidase	Homo sapiens (human)
peroxisome	D-aspartate oxidase	Homo sapiens (human)
peroxisome	D-aspartate oxidase	Homo sapiens (human)
peroxisomal matrix	D-aspartate oxidase	Homo sapiens (human)
cytosol	D-aspartate oxidase	Homo sapiens (human)
cytoplasm	D-aspartate oxidase	Homo sapiens (human)
cytoplasm	Serine racemase	Homo sapiens (human)
cytosol	Serine racemase	Homo sapiens (human)
neuronal cell body	Serine racemase	Homo sapiens (human)
apical part of cell	Serine racemase	Homo sapiens (human)
cytoplasm	Serine racemase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (41)

Assay ID	Title	Year	Journal	Article
AID1246864	Inhibition of human recombinant serine racemase expressed in Escherichia coli Rosetta 2 (DE3) cells using L-serine as substrate by horseradish peroxidase based couple assay	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Expanding the chemical space of human serine racemase inhibitors.
AID1247858	Inhibition of HA-tagged human DDO expressed in human HeLa cells assessed as increase of L-Asp level at 1000 uM after 24 hrs by HPLC analysis	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1247855	Effect on L-Asp level in human HeLa cells at 1000 uM after 24 hrs by HPLC analysis	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1449688	Cytotoxicity against HEK293 cells harboring pendrin P123S mutant after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 05-01, Volume: 25, Issue:9	Discovery of (2-aminophenyl)methanol as a new molecular chaperone that rescues the localization of P123S mutant pendrin stably expressed in HEK293 cells.
AID429166	Inhibition of wild type human recombinant mitochondrial NADP-ME expressed in Escherichia coli BL21 assessed as residual enzyme activity by spectrophotometry in absence of fumarate	2009	Bioorganic & medicinal chemistry, Aug-01, Volume: 17, Issue:15	Effects of structural analogues of the substrate and allosteric regulator of the human mitochondrial NAD(P)+-dependent malic enzyme.
AID1247850	Effect on D-Asp level in human HeLa cells at 1000 uM after 24 hrs by HPLC analysis	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1246863	Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as reduction in beta-elimination of L-serine at by spectrophotomtery	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Expanding the chemical space of human serine racemase inhibitors.
AID726220	Inhibition of human recombinant N-terminal His-tagged serine racemase expressed in Escherichia coli BL21(DE3) using L-serine as substrate after 10 mins by fluorescence assay	2013	Journal of medicinal chemistry, Mar-14, Volume: 56, Issue:5	Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro.
AID1246862	Inhibition of hexa-His-tagged purified human recombinant serine racemase expressed in Escherichia coli BL21 Codonplus (DE3)-RIL cells assessed as reduction in beta-elimination of L-serine at 330 uM by spectrophotomtery	2015	Bioorganic & medicinal chemistry letters, Oct-01, Volume: 25, Issue:19	Expanding the chemical space of human serine racemase inhibitors.
AID1174257	Inhibition of mouse serine racemase by Lineweaver-Burk plot	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study.
AID1453915	Inhibition of human serine racemase C2D2 mutant assessed as remaining enzyme activity by measuring D-serine production using L-serine as substrate incubated for > 8 hrs	2017	Bioorganic & medicinal chemistry, 07-15, Volume: 25, Issue:14	A novel serine racemase inhibitor suppresses neuronal over-activation in vivo.
AID233504	Ionization constant (pKa2) by treating potentiometric titration data according to the method Noyes	1996	Journal of medicinal chemistry, Mar-01, Volume: 39, Issue:5	4'-O-[2-(2-fluoromalonyl)]-L-tyrosine: a phosphotyrosyl mimic for the preparation of signal transduction inhibitory peptides.
AID429164	Inhibition of human mitochondrial NADP-ME E59L mutant expressed in Escherichia coli XL-1 assessed as residual enzyme activity by spectrophotometry in presence of fumarate	2009	Bioorganic & medicinal chemistry, Aug-01, Volume: 17, Issue:15	Effects of structural analogues of the substrate and allosteric regulator of the human mitochondrial NAD(P)+-dependent malic enzyme.
AID1247844	Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by colorimetric assay	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1174256	Inhibition of mouse serine racemase using L-serine substrate by reversed-phase HPLC analysis	2015	European journal of medicinal chemistry, Jan-07, Volume: 89	Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study.
AID1247845	Competitive inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp by Lineweaver-Burk plot analysis	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1449696	Chaperone activity at recombinant human C-terminal FLAG-tagged pendrin P123S mutant expressed in HEK293 cells assessed as increase in localization of protein mutant in plasma membrane at 1 to 30 mM after 12 hrs by DAPI staining based immunofluorescence mi	2017	Bioorganic & medicinal chemistry, 05-01, Volume: 25, Issue:9	Discovery of (2-aminophenyl)methanol as a new molecular chaperone that rescues the localization of P123S mutant pendrin stably expressed in HEK293 cells.
AID1247846	Binding affinity to human recombinant DDO	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1185880	Binding affinity to serine recemase (unknown origin)	2014	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 24, Issue:16	In silico and pharmacological screenings identify novel serine racemase inhibitors.
AID726223	Inhibition of human recombinant N-terminal His-tagged DDO expressed in Escherichia coli BL21(DE3) using D-aspartate as substrate by colorimetric assay	2013	Journal of medicinal chemistry, Mar-14, Volume: 56, Issue:5	Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro.
AID1185878	Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production after 10 mins by Saccharomyces cerevisiae Dsd1SC based D-serine detection assay	2014	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 24, Issue:16	In silico and pharmacological screenings identify novel serine racemase inhibitors.
AID443635	Inhibition of mouse recombinant serine racemase transfected in bacterial expression system	2009	Journal of medicinal chemistry, Oct-08, Volume: 52, Issue:19	Hydroxamic acids as a novel family of serine racemase inhibitors: mechanistic analysis reveals different modes of interaction with the pyridoxal-5'-phosphate cofactor.
AID726222	Inhibition of human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) using D-serine as substrate by colorimetric assay	2013	Journal of medicinal chemistry, Mar-14, Volume: 56, Issue:5	Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro.
AID726218	Binding affinity to human recombinant N-terminal His-tagged DAO expressed in Escherichia coli BL21(DE3) at 40 uM after 2 to 30 mins by absorption spectra analysis	2013	Journal of medicinal chemistry, Mar-14, Volume: 56, Issue:5	Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro.
AID224309	Inhibitory activity against SH2 domain of human p60 c-Src tyrosine kinase using surface plasmon resonance (SPR) assay.	2003	Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24	Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
AID1247843	Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by colorimetric assay	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1247848	Inhibition of mouse recombinant DDO using D-Asp	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID429165	Inhibition of human mitochondrial NADP-ME E59L mutant expressed in Escherichia coli XL-1 assessed as residual enzyme activity by spectrophotometry in absence of fumarate	2009	Bioorganic & medicinal chemistry, Aug-01, Volume: 17, Issue:15	Effects of structural analogues of the substrate and allosteric regulator of the human mitochondrial NAD(P)+-dependent malic enzyme.
AID121636	In vivo antileukemic activity against P-388 lymphocytic leukemia in BDF1 male mice at 0.6(mg/kg)/day intraperitoneal dose expressed as T/C	1981	Journal of medicinal chemistry, Aug, Volume: 24, Issue:8	Antitumor agents. 44. Bis(helenalinyl) esters and related derivatives as novel potent antileukemic agents.
AID1247852	Inhibition of HA-tagged human DDO expressed in human HeLa cells assessed as increase of D-Asp level at 1000 uM after 24 hrs by HPLC analysis	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID429167	Inhibition of wild type human recombinant mitochondrial NADP-ME expressed in Escherichia coli BL21 assessed as residual enzyme activity by spectrophotometry in presence of fumarate	2009	Bioorganic & medicinal chemistry, Aug-01, Volume: 17, Issue:15	Effects of structural analogues of the substrate and allosteric regulator of the human mitochondrial NAD(P)+-dependent malic enzyme.
AID110256	Antileukemic activity of compound against the P-388 lymphocytic leukemic BDF1 male mice at 0.6(mg/kg)/day, administered intraperitoneally; 11.0/9.66 (Treated/control)	1981	Journal of medicinal chemistry, Aug, Volume: 24, Issue:8	Antitumor agents. 44. Bis(helenalinyl) esters and related derivatives as novel potent antileukemic agents.
AID671895	Binding affinity to 6-His-tagged human LDHA (2 to 322 amino acid residue) expressed in Escherichia coli BL21 (DE3) cells by NMR analysis in presence of NADH	2012	Journal of medicinal chemistry, Apr-12, Volume: 55, Issue:7	Design and synthesis of novel lactate dehydrogenase A inhibitors by fragment-based lead generation.
AID1453914	Inhibition of human serine racemase C2D2 mutant assessed as remaining enzyme activity by measuring D-serine production using L-serine as substrate at 1 mM incubated for > 8 hrs	2017	Bioorganic & medicinal chemistry, 07-15, Volume: 25, Issue:14	A novel serine racemase inhibitor suppresses neuronal over-activation in vivo.
AID1247847	Inhibition of rat recombinant DDO using D-Asp	2015	Journal of medicinal chemistry, Sep-24, Volume: 58, Issue:18	Identification of Novel D-Aspartate Oxidase Inhibitors by in Silico Screening and Their Functional and Structural Characterization in Vitro.
AID1185879	Inhibition of full length human recombinant serine recemase C2DC6D mutant expressed in Escherichia coli BL21 (DE3) assessed as D-serine production at 1 mM after 10 mins by Saccharomyces cerevisiae Dsd1SC based D-serine detection assay	2014	Bioorganic & medicinal chemistry letters, Aug-15, Volume: 24, Issue:16	In silico and pharmacological screenings identify novel serine racemase inhibitors.
AID1811	Experimentally measured binding affinity data derived from PDB	2003	Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24	Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
AID977608	Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB	2003	Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24	Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
AID1811	Experimentally measured binding affinity data derived from PDB	2006	Biochemistry, Jul-11, Volume: 45, Issue:27	Structural insights into the mechanism of PEPCK catalysis.
AID977610	Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB	2006	Biochemistry, Jul-11, Volume: 45, Issue:27	Structural insights into the mechanism of PEPCK catalysis.
AID1797268	Scintillation Proximity Assay (SPA) from Article 10.1021/jm020970s: \\Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.\\	2003	Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24	Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	208 (24.02)	18.7374
1990's	138 (15.94)	18.2507
2000's	265 (30.60)	29.6817
2010's	211 (24.36)	24.3611
2020's	44 (5.08)	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	1 (0.11%)	5.53%
Reviews	11 (1.22%)	6.00%
Case Studies	12 (1.33%)	4.05%
Observational	0 (0.00%)	0.25%
Other	881 (97.35%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
succinic acid	[no description available]	medium	57	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
fluorouracil	[no description available]	medium	2	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
diethyl malonate	[no description available]	medium	3	0	dicarboxylic acid
helenalin	[no description available]	medium	1	0	cyclic ketone; gamma-lactone; organic heterotricyclic compound; secondary alcohol; sesquiterpene lactone	anti-inflammatory agent; antineoplastic agent; metabolite; plant metabolite
diethyl succinate	[no description available]	medium	1	0	fatty acid ester
11alpha,13-dihydrohelenalin	[no description available]	medium	1	0	sesquiterpene lactone
citric acid, anhydrous	[no description available]	medium	22	0	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
oxalic acid	[no description available]	high	28	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
phosphoric acid	[no description available]	medium	1	0	phosphoric acids	algal metabolite; fertilizer; human metabolite; NMR chemical shift reference compound; solvent
phenylphosphate	[no description available]	medium	1	0	aryl phosphate	mouse metabolite
succinamide	[no description available]	medium	1	0
maleic acid	[no description available]	medium	9	0	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
fumaric acid	[no description available]	medium	12	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
glutaconic acid	[no description available]	medium	1	0	glutaconic acid
glycine	[no description available]	medium	8	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
acetohydroxamic acid	[no description available]	medium	1	0	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor
suberoyl bis-hydroxamic acid	[no description available]	medium	1	0	hydroxamic acid
vorinostat	[no description available]	medium	1	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
serine	[no description available]	medium	4	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
serine hydroxamate	[no description available]	medium	1	0	hydroxamic acid; serine derivative	EC 6.1.1.11 (serine--tRNA ligase) inhibitor
4-nitrobenzohydroxamic acid	[no description available]	medium	1	0
adenosine monophosphate	[no description available]	medium	1	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
1-hydroxy-2-naphthoic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; naphthoic acid; naphthols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite
3-dihydroxy-6-methyl-7-(phenylmethyl)-4-propylnaphthalene-1-carboxylic acid	[no description available]	medium	1	0
adenosine monophosphate	[no description available]	medium	1	0	nucleoside 5'-monophosphate(2-)	cofactor; fundamental metabolite; human metabolite
benzoic acid	[no description available]	medium	3	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
thiophene-3-carboxylic acid	[no description available]	medium	1	0
adrenalone	[no description available]	medium	1	0	aromatic ketone
3-hydroxy-1-benzopyran-2-one	[no description available]	medium	1	0	hydroxycoumarin
oxiniacic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
5-aminonicotinic acid	[no description available]	medium	2	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
crotonic acid	[no description available]	medium	1	0	2-butenoic acid	plant metabolite
3-coumaric acid	[no description available]	medium	1	0	3-coumaric acid
pseudoginsenoside f11	[no description available]	medium	1	0
sun	[no description available]	medium	1	0
tartronic acid	[no description available]	medium	2	0	dicarboxylic acid; dicarboxylic fatty acid	plant metabolite
methylmalonic acid	[no description available]	medium	22	0	C4-dicarboxylic acid	human metabolite
2,2-dimethylmalonate	[no description available]	medium	1	0	dicarboxylic acid	fatty acid synthesis inhibitor
tricarballylic acid	[no description available]	medium	1	0	tricarboxylic acid
niacin	[no description available]	medium	2	0	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
3-aminobenzoic acid	[no description available]	medium	1	0	aminobenzoic acid
5-chlorosalicylic acid	[no description available]	medium	1	0	chlorobenzoic acid; monochlorobenzenes; monohydroxybenzoic acid
3-aminopyridine	[no description available]	medium	1	0
3,5-pyridinedicarboxylic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid
3-hydroxypicolinic acid	[no description available]	medium	1	0	monocarboxylic acid; monohydroxypyridine	MALDI matrix material
6-aminonicotinic acid	[no description available]	medium	1	0	aminonicotinic acid; aminopyridine; aromatic amine	metabolite
5-hydroxynicotinic acid	[no description available]	medium	1	0	aromatic carboxylic acid; pyridines
5-fluorosalicylic acid	[no description available]	medium	1	0
2-aminonicotinic acid	[no description available]	medium	1	0	aminonicotinic acid; aminopyridine	metabolite
3-aminopicolinic acid	[no description available]	medium	1	0
5-bromonicotinic acid	[no description available]	medium	1	0
5-fluoro-3-pyridinecarboxylic acid	[no description available]	medium	1	0
2,3-dihydroxybenzoic acid	[no description available]	medium	2	0	dihydroxybenzoic acid	human xenobiotic metabolite; plant metabolite
protocatechuic acid	[no description available]	medium	1	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
anthranilic acid	[no description available]	medium	1	0	aminobenzoic acid	human metabolite; mouse metabolite
salicylic acid	[no description available]	medium	4	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
aspirin	[no description available]	medium	1	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
2,5-dihydroxybenzoic acid	[no description available]	medium	3	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
mesalamine	[no description available]	medium	1	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
salicyl alcohol	[no description available]	medium	1	0	aromatic primary alcohol; hydroxybenzyl alcohol	human urinary metabolite
2-thiosalicylic acid	[no description available]	medium	1	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
5-methylsalicylic acid	[no description available]	medium	1	0
5-nitrosalicylic acid	[no description available]	medium	1	0	4-nitrophenols; monohydroxybenzoic acid
gamma-resorcylic acid	[no description available]	medium	1	0	dihydroxybenzoic acid	metabolite
2-hydroxyphenylacetic acid	[no description available]	medium	1	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
2-aminobenzyl alcohol	[no description available]	medium	1	0
4-aminobenzyl alcohol	[no description available]	medium	1	0
carnitine	[no description available]	medium	6	0	amino-acid betaine	human metabolite; mouse metabolite
malonyl coenzyme a	[no description available]	medium	22	0	malonyl-CoAs	EC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor; Escherichia coli metabolite; metabolite; mouse metabolite
s-adenosylmethionine	[no description available]	medium	1	0	sulfonium betaine	human metabolite
platinum	[no description available]	medium	3	0	elemental platinum; nickel group element atom; platinum group metal atom
glyburide	[no description available]	medium	1	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
3-n-butylphthalide	[no description available]	medium	1	0	benzofurans
hydrochloric acid	[no description available]	medium	2	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
pyrene	[no description available]	medium	1	0	ortho- and peri-fused polycyclic arene	fluorescent probe; persistent organic pollutant
lignin	[no description available]	medium	3	0
hydracrylic acid	[no description available]	medium	3	0	3-hydroxy monocarboxylic acid; omega-hydroxy-short-chain fatty acid	Escherichia coli metabolite; human metabolite
virginiamycin	[no description available]	medium	1	0
nitrates	[no description available]	medium	5	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
cerulenin	[no description available]	medium	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
tyrosine	[no description available]	medium	10	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
trans-4-coumaric acid	[no description available]	medium	1	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
naringenin	[no description available]	medium	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
phenylalanine	[no description available]	medium	4	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
choline	[no description available]	medium	8	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
azelaic acid	[no description available]	medium	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
methyl malonate	[no description available]	medium	3	0
glutaric acid	[no description available]	high	15	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	Daphnia magna metabolite; human metabolite
fumonisin b1	[no description available]	medium	1	0	diester; fumonisin; primary amino compound; triol	carcinogenic agent; metabolite
deoxynivalenol	[no description available]	medium	1	0	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin
aflatoxin b1	[no description available]	medium	1	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
zearalenone	[no description available]	medium	1	0	macrolide; resorcinols	fungal metabolite; mycoestrogen
remazol black b	[no description available]	medium	1	0
fumarates	[no description available]	medium	16	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
maytansine	[no description available]	medium	2	0	alpha-amino acid ester; carbamate ester; epoxide; maytansinoid; organic heterotetracyclic compound; organochlorine compound	antimicrobial agent; antimitotic; antineoplastic agent; plant metabolite; tubulin modulator
ansamitocins	[no description available]	medium	2	0
adipic acid	[no description available]	medium	6	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	food acidity regulator; human xenobiotic metabolite
5-aminovaleric acid	[no description available]	medium	1	0	amino acid zwitterion; delta-amino acid; omega-amino fatty acid	human metabolite
acrolein	[no description available]	medium	2	0	enal	herbicide; human xenobiotic metabolite; toxin
betamethasone valerate	[no description available]	medium	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester	anti-inflammatory drug
oxaloacetic acid	[no description available]	medium	5	0	C4-dicarboxylic acid; oxo dicarboxylic acid	geroprotector; metabolite
pyruvic acid	[no description available]	medium	11	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
fullerene c60	[no description available]	medium	12	0	fullerene	geroprotector
1,2-oleoylphosphatidylcholine	[no description available]	medium	1	0	phosphatidylcholine(1+)
phosphatidylcholines	[no description available]	medium	2	0	1,2-diacyl-sn-glycero-3-phosphocholine
urea	[no description available]	medium	9	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
manganese dioxide	[no description available]	medium	1	0	manganese molecular entity; metal oxide
caffeic acid	[no description available]	medium	4	0	caffeic acid	geroprotector; mouse metabolite
caffeine	[no description available]	medium	3	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
thiourea	[no description available]	medium	4	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
angiotensin ii	[no description available]	medium	1	0	amino acid zwitterion; angiotensin II	human metabolite
citrulline	[no description available]	medium	4	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
rotenone	[no description available]	medium	23	0	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
s-methylthiocitrulline	[no description available]	medium	3	0	imidothiocarbamic ester; L-arginine derivative; L-ornithine derivative; non-proteinogenic L-alpha-amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; neuroprotective agent
methionine	[no description available]	medium	3	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
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
glycerol	[no description available]	medium	3	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
cysteinylglycine	[no description available]	medium	1	0	dipeptide zwitterion; dipeptide	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
wortmannin	[no description available]	medium	1	0	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
deoxyglucose	[no description available]	medium	8	0
pristane	[no description available]	medium	1	0	long-chain alkane; norterpene	biomarker; immunological adjuvant
3-nitropropionic acid	[no description available]	medium	24	0	C-nitro compound	antimycobacterial drug; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mycotoxin; neurotoxin
nickel	[no description available]	medium	5	0	metal allergen; nickel group element atom	epitope; micronutrient
carbamazepine	[no description available]	medium	2	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
calcium nitrate	[no description available]	medium	1	0	calcium salt; inorganic nitrate salt	fertilizer
fluoroacetic acid	[no description available]	medium	3	0	haloacetic acid; organofluorine compound	EC 4.2.1.3 (aconitate hydratase) inhibitor
antimycin	[no description available]	medium	9	0
bromopyruvate	[no description available]	medium	1	0	2-oxo monocarboxylic acid anion
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
streptomycin	[no description available]	medium	2	0	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
antimycin a	[no description available]	medium	13	0	amidobenzoic acid
azides	[no description available]	medium	4	0	pseudohalide anion	mitochondrial respiratory-chain inhibitor
hydroxyl radical	[no description available]	medium	6	0	oxygen hydride; oxygen radical; reactive oxygen species
diphenyleneiodonium	[no description available]	medium	1	0	organic cation
beta-escin	[no description available]	medium	1	0
ethylmalonic acid	[no description available]	medium	1	0	dicarboxylic acid; dicarboxylic fatty acid	human metabolite
3-nitrophenylhydrazine	[no description available]	medium	1	0
bromide	[no description available]	medium	10	0	halide anion; monoatomic bromine
acetaminophen	[no description available]	medium	1	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
pyrrolidine	[no description available]	medium	3	0	azacycloalkane; pyrrolidines; saturated organic heteromonocyclic parent
chrysotile	[no description available]	medium	1	0
aspartic acid	[no description available]	medium	7	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
ammonium hydroxide	[no description available]	medium	5	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
glyoxylic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phleomycin d1	[no description available]	medium	1	0	bi-1,3-thiazole; chelate-forming peptide; disaccharide derivative; glycopeptide; guanidines	antibacterial agent; antifungal agent; antimicrobial agent; antineoplastic agent; bacterial metabolite
carboplatin	[no description available]	medium	1	0
sulfuric acid	[no description available]	medium	8	0	sulfur oxoacid	catalyst
lysine	[no description available]	medium	14	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
acetic acid	[no description available]	medium	14	0	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone	[no description available]	medium	1	0	1,4-benzoquinones	cofactor
thenoyltrifluoroacetone	[no description available]	medium	5	0
cadmium	[no description available]	medium	5	0	cadmium molecular entity; zinc group element atom
ubiquinone	[no description available]	medium	8	0
tartaric acid	[no description available]	medium	11	0	tartaric acid	Escherichia coli metabolite
1h-imidazo(4,5-b)pyridine	[no description available]	medium	1	0	imidazopyridine
silver	[no description available]	medium	2	0	copper group element atom; elemental silver	Escherichia coli metabolite
naproxen	[no description available]	medium	1	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
rivaroxaban	[no description available]	medium	1	0	aromatic amide; lactam; monocarboxylic acid amide; morpholines; organochlorine compound; oxazolidinone; thiophenes	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
ethylene oxide	[no description available]	medium	1	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
sildenafil citrate	[no description available]	medium	2	0	citrate salt	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
calpain	[no description available]	medium	3	0
dimethyl sulfoxide	[no description available]	medium	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
acyclovir	[no description available]	medium	2	0	2-aminopurines; oxopurine	antimetabolite; antiviral drug
amantadine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
simvastatin	[no description available]	medium	1	0	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug
pyrroles	[no description available]	medium	5	0	pyrrole; secondary amine
rofecoxib	[no description available]	medium	1	0	butenolide; sulfone	analgesic; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
atorvastatin	[no description available]	medium	1	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
ginsenosides	[no description available]	medium	3	0
lactic acid	[no description available]	medium	13	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
4-nitrophenylphosphate	[no description available]	medium	1	0	aryl phosphate	mouse metabolite
nitrophenols	[no description available]	medium	4	0
sulfur	[no description available]	medium	3	0	chalcogen; nonmetal atom	macronutrient
fullerene c70	[no description available]	medium	2	0	fullerene
glyceryl 2-arachidonate	[no description available]	medium	1	0	2-acylglycerol 20:4; endocannabinoid	human metabolite
dinoprostone	[no description available]	medium	2	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
gamma-aminobutyric acid	[no description available]	medium	15	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
quinazolines	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
2,5-furandicarboxylic acid	[no description available]	medium	1	0	dicarboxylic acid; furans	human urinary metabolite
sulfosalicylic acid	[no description available]	medium	1	0	arenesulfonic acid; benzoic acids; phenols	metabolite
salicylates	[no description available]	medium	2	0	monohydroxybenzoate	plant metabolite
2-propylamine	[no description available]	medium	1	0	alkylamines; primary aliphatic amine
imidazole	[no description available]	medium	3	0	imidazole
cysteine	[no description available]	medium	4	0	cysteinium	fundamental metabolite
histidine	[no description available]	medium	5	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
sodium bromate	[no description available]	medium	7	0	bromate salt; inorganic sodium salt	nephrotoxin; oxidising agent
bromates	[no description available]	medium	15	0	bromine oxoanion; monovalent inorganic anion
ferrioxalate	[no description available]	medium	1	0
rhodamine b	[no description available]	medium	1	0	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
oxalates	[no description available]	medium	19	0
goethite	[no description available]	medium	1	0
malic acid	[no description available]	medium	28	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
kaempferol	[no description available]	medium	1	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
3-hydroxyflavone	[no description available]	medium	1	0	flavonols; monohydroxyflavone
chlorine	[no description available]	medium	10	0	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
fluorine	[no description available]	medium	1	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
coenzyme a	[no description available]	medium	9	0	adenosine 3',5'-bisphosphate	coenzyme; Escherichia coli metabolite; mouse metabolite
2-acrylamido-2-methylpropanesulfonate	[no description available]	medium	1	0	organosulfonic acid
nitric acid	[no description available]	medium	2	0	nitrogen oxoacid	protic solvent; reagent
tris(2,2'-bipyridine)ruthenium(II)	[no description available]	medium	2	0	ruthenium coordination entity	fluorochrome
3-aminobenzamide	[no description available]	medium	2	0	benzamides; substituted aniline	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
ex 527	[no description available]	medium	1	0	carbazoles; monocarboxylic acid amide; organochlorine compound
srt1720	[no description available]	medium	1	0
chlorine dioxide	[no description available]	medium	10	0	chlorine dioxide
iodine	[no description available]	medium	12	0	diatomic iodine	nutrient
phenyl acetate	[no description available]	medium	25	0	benzenes; phenyl acetates
edetic acid	[no description available]	medium	6	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
adenosine diphosphate	[no description available]	medium	8	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
1,2-cyclohexanedione	[no description available]	medium	1	0	cyclohexanedione
isoprene	[no description available]	medium	2	0	alkadiene; hemiterpene; volatile organic compound	plant metabolite
tiletamine hydrochloride	[no description available]	medium	2	0
tetracycline	[no description available]	medium	1	0
theophylline	[no description available]	medium	3	0	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
leucine	[no description available]	medium	3	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
morin-5'-sulfonic acid	[no description available]	medium	1	0
triazoles	[no description available]	medium	4	0	1,2,3-triazole
fluorides	[no description available]	medium	3	0	halide anion; monoatomic fluorine
ethylene urea	[no description available]	medium	1	0	imidazolidinone; ureas
imidazolidines	[no description available]	medium	1	0	azacycloalkane; imidazolidines; saturated organic heteromonocyclic parent
pyridoxal phosphate	[no description available]	medium	3	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
ammonium sulfate	[no description available]	medium	2	0	ammonium salt; inorganic sulfate salt	fertilizer
potassium bromide	[no description available]	medium	2	0	potassium salt
silver nitrate	[no description available]	medium	1	0	inorganic nitrate salt; silver salt	astringent
ferroin	[no description available]	medium	5	0
1,7-phenanthroline	[no description available]	medium	6	0	phenanthroline
oxazoles	[no description available]	medium	3	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
4-hydroxybenzoic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; plant metabolite
propylparaben	[no description available]	medium	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
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
titanium	[no description available]	medium	2	0	titanium group element atom
titanium dioxide	[no description available]	medium	1	0	titanium oxides	food colouring
thiophenes	[no description available]	medium	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
mocetinostat	[no description available]	medium	1	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
manganese	[no description available]	medium	12	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
9,10-anthraquinone	[no description available]	medium	1	0	anthraquinone
quinone	[no description available]	medium	2	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
shikimic acid	[no description available]	medium	3	0	alpha,beta-unsaturated monocarboxylic acid; cyclohexenecarboxylic acid; hydroxy monocarboxylic acid	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
palladium	[no description available]	medium	3	0	metal allergen; nickel group element atom; platinum group metal atom
itaconic acid	[no description available]	medium	1	0	dicarboxylic acid; dicarboxylic fatty acid; olefinic compound	fungal metabolite; human metabolite
phosphotyrosine	[no description available]	medium	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
rhodium	[no description available]	medium	1	0	cobalt group element atom
hydrazine	[no description available]	medium	3	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
beta-alanine	[no description available]	medium	2	0	amino acid zwitterion; beta-amino acid	agonist; fundamental metabolite; human metabolite; inhibitor; neurotransmitter
pyrroline	[no description available]	medium	1	0	pyrroline
phosphorus	[no description available]	medium	1	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
isoxazoles	[no description available]	medium	1	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
erythromycin	[no description available]	medium	4	0	cyclic ketone; erythromycin
acetyl coenzyme a	[no description available]	medium	9	0	acyl-CoA	acyl donor; coenzyme; effector; fundamental metabolite
acetoacetyl coa	[no description available]	medium	1	0	3-oxo-fatty acyl-CoA	Escherichia coli metabolite; mouse metabolite
1,3,5-triaza-7-phosphaadamantane	[no description available]	medium	1	0
adamantane	[no description available]	medium	2	0	adamantanes; polycyclic alkane
iodine	[no description available]	medium	3	0	halide anion; monoatomic iodine	human metabolite
cyanides	[no description available]	medium	11	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
3-hydroxybutyric acid	[no description available]	medium	4	0	(omega-1)-hydroxy fatty acid; 3-hydroxy monocarboxylic acid; hydroxybutyric acid	human metabolite
nad	[no description available]	medium	19	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
glutamine	[no description available]	medium	6	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
corticosterone	[no description available]	medium	1	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
leptin	[no description available]	medium	1	0
glucose, (beta-d)-isomer	[no description available]	medium	4	0	D-glucopyranose	epitope; mouse metabolite
n-lauroylethanolamine	[no description available]	medium	1	0	N-(long-chain-acyl)ethanolamine; N-(saturated fatty acyl)ethanolamine
bromic acid	[no description available]	medium	1	0	bromine oxoacid
cerium	[no description available]	medium	6	0	f-block element atom; lanthanoid atom
melamine	[no description available]	medium	1	0	triamino-1,3,5-triazine	xenobiotic metabolite
felodipine	[no description available]	medium	1	0	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent
tacrolimus	[no description available]	medium	2	0	macrolide lactam	bacterial metabolite; immunosuppressive agent
ethylene	[no description available]	medium	2	0	alkene; gas molecular entity	plant hormone; refrigerant
fluorocitrate	[no description available]	medium	2	0	carbonyl compound
ruthenium	[no description available]	medium	5	0	iron group element atom; platinum group metal atom
docusate	[no description available]	medium	1	0	diester; organosulfonic acid
octane	[no description available]	medium	2	0	alkane	xenobiotic
marizomib	[no description available]	medium	1	0	beta-lactone; gamma-lactam; organic heterobicyclic compound; organochlorine compound; salinosporamide	antineoplastic agent; proteasome inhibitor
stilbenes	[no description available]	medium	1	0	stilbene
cadmium chloride	[no description available]	medium	1	0	cadmium coordination entity
barbital	[no description available]	medium	1	0	barbiturates	drug allergen
aceturic acid	[no description available]	medium	1	0	N-acetyl-amino acid; N-acylglycine	human metabolite
phenylacetylene	[no description available]	medium	1	0	benzenes
acetylene	[no description available]	medium	5	0	alkyne; gas molecular entity; terminal acetylenic compound
sodium azide	[no description available]	medium	3	0	inorganic sodium salt	antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen
carbodiimides	[no description available]	medium	2	0	carbodiimide
naphthoquinones	[no description available]	medium	3	0
carbostyril	[no description available]	medium	1	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
cerium sulfate	[no description available]	medium	2	0
picromycin	[no description available]	medium	1	0	enone; macrolide antibiotic; monosaccharide derivative	bacterial metabolite
mupirocin	[no description available]	medium	1	0	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor
bryostatin 1	[no description available]	medium	1	0
sr 144528	[no description available]	medium	1	0	bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide	CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor
arachidonyl-2-chloroethylamide	[no description available]	medium	1	0	fatty amide; organochlorine compound; secondary carboxamide; synthetic cannabinoid	CB1 receptor agonist; CB2 receptor agonist; neuroprotective agent
hu 308	[no description available]	medium	1	0	aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid	anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist
isoniazid	[no description available]	medium	2	0	carbohydrazide	antitubercular agent; drug allergen
1,4-dihydropyridine	[no description available]	medium	1	0
dihydropyridines	[no description available]	medium	1	0
carmustine	[no description available]	medium	1	0	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent
phosphoenolpyruvate	[no description available]	medium	2	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
coronafacic acid	[no description available]	medium	1	0	ketone
cysteamine	[no description available]	medium	2	0	amine; thiol	geroprotector; human metabolite; mouse metabolite; radiation protective agent
ethyldimethylaminopropyl carbodiimide	[no description available]	medium	1	0
ethylenediamine	[no description available]	medium	2	0	alkane-alpha,omega-diamine	GABA agonist
palmitoylcarnitine	[no description available]	medium	4	0	O-palmitoylcarnitine; saturated fatty acyl-L-carnitine	EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; human metabolite; mouse metabolite
glutamic acid	[no description available]	medium	26	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
mersalyl	[no description available]	medium	3	0
desmosine	[no description available]	medium	1	1	aromatic amino acid
elastin	[no description available]	medium	1	1	oligopeptide
rosiglitazone	[no description available]	medium	1	0	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
pioglitazone	[no description available]	medium	1	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
warfarin	[no description available]	medium	2	0	benzenes; hydroxycoumarin; methyl ketone
deuterium	[no description available]	medium	4	0	dihydrogen
n-methylaspartate	[no description available]	medium	10	0	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
kainic acid	[no description available]	medium	5	0	dicarboxylic acid; L-proline derivative; non-proteinogenic L-alpha-amino acid; pyrrolidinecarboxylic acid	antinematodal drug; excitatory amino acid agonist
riluzole	[no description available]	medium	3	0	benzothiazoles
3-nitrophenol	[no description available]	medium	1	0	3-nitrophenols
hydroquinone	[no description available]	medium	1	0	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
4-nitrophenol	[no description available]	medium	1	0	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
4-nitrocatechol	[no description available]	medium	1	0	C-nitro compound; catechols	human xenobiotic metabolite; lipoxygenase inhibitor
nitrobenzene	[no description available]	medium	1	0	nitroarene; nitrobenzenes
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
indene	[no description available]	medium	1	0	indene; ortho-fused bicyclic arene
cupric bromide	[no description available]	medium	1	0
2-ethynylaniline	[no description available]	medium	1	0
alkenes	[no description available]	medium	7	0
2-amino-4-picoline	[no description available]	medium	1	0
cobalt	[no description available]	medium	3	0	cobalt group element atom; metal allergen	micronutrient
diazoxide	[no description available]	medium	1	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
teriflunomide	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic amide; enamide; enol; nitrile; secondary carboxamide	drug metabolite; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; hepatotoxic agent; non-steroidal anti-inflammatory drug; tyrosine kinase inhibitor
zirconium	[no description available]	medium	1	0	titanium group element atom
perchlorate	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
sodium hypochlorite	[no description available]	medium	1	0	inorganic sodium salt	bleaching agent; disinfectant
chlorates	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
sulfites	[no description available]	medium	2	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
silver acetate	[no description available]	medium	1	0
salicylhydroxamic acid	[no description available]	medium	2	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
dicumarol	[no description available]	medium	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
riboflavin	[no description available]	medium	1	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
potassium cyanate	[no description available]	medium	1	0	cyanate salt; one-carbon compound	herbicide
cyanates	[no description available]	medium	2	0
d-alpha tocopherol	[no description available]	medium	3	0	alpha-tocopherol	algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite
chiniofon	[no description available]	medium	1	0
quinoline	[no description available]	medium	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
aconitic acid	[no description available]	medium	1	0	tricarboxylic acid
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
chlorite	[no description available]	medium	1	0	chlorine oxoanion; monovalent inorganic anion
n-isopropylacrylamide	[no description available]	medium	2	0
emoxypine succinate	[no description available]	medium	1	0
3-hydroxypyridine	[no description available]	medium	1	0	monohydroxypyridine
phosphocreatine	[no description available]	medium	1	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
amobarbital	[no description available]	medium	2	0	barbiturates
thiazolyl blue	[no description available]	medium	3	0	organic bromide salt	colorimetric reagent; dye
montelukast	[no description available]	medium	1	0	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
quinolinic acid	[no description available]	medium	3	0	pyridinedicarboxylic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; NMDA receptor agonist
nitrites	[no description available]	medium	3	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
thiazoles	[no description available]	medium	5	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
lanthanum	[no description available]	medium	1	0	f-block element atom; lanthanoid atom; scandium group element atom
taurine	[no description available]	medium	1	0	amino sulfonic acid; zwitterion	antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite
pentylenetetrazole	[no description available]	medium	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
4-aminopyridine	[no description available]	medium	1	0	aminopyridine; aromatic amine	avicide; orphan drug; potassium channel blocker
pilocarpine	[no description available]	medium	1	0	pilocarpine	antiglaucoma drug
carbonates	[no description available]	medium	1	0	carbon oxoanion
oxybutynin	[no description available]	medium	1	0	acetylenic compound; carboxylic ester; racemate; tertiary alcohol; tertiary amino compound	antispasmodic drug; calcium channel blocker; local anaesthetic; muscarinic antagonist; muscle relaxant; parasympatholytic
resorcinol	[no description available]	medium	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
piperidines	[no description available]	medium	2	0
proline	[no description available]	medium	2	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
4-hydroxybenzaldehyde	[no description available]	medium	1	0	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
4-vinylphenol	[no description available]	medium	1	0	phenols	human urinary metabolite; human xenobiotic metabolite
piperidine	[no description available]	medium	1	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
benzimidazole	[no description available]	medium	1	0	benzimidazole; polycyclic heteroarene
osmium	[no description available]	medium	1	0	iron group element atom; platinum group metal atom
gigantecin	[no description available]	medium	1	0
ketene	[no description available]	medium	1	0	ketene
n,n-carbonyldiimidazole	[no description available]	medium	1	0
fluorexon	[no description available]	medium	1	0	xanthene dye	fluorochrome
6-carboxyfluorescein	[no description available]	medium	1	0	monocarboxylic acid
erythrosine	[no description available]	medium	6	0
chelerythrine	[no description available]	medium	1	0	benzophenanthridine alkaloid; organic cation	antibacterial agent; antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
6h,8h-3,4-dihydropyrimido(4,5-c)(1,2)oxazin-7-one	[no description available]	medium	1	0
2-acetylpyridine	[no description available]	medium	2	0	aromatic ketone
eicosapentaenoic acid ethyl ester	[no description available]	medium	1	0
cystamine	[no description available]	medium	1	0	organic disulfide; primary amino compound	EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor
eicosapentaenoic acid	[no description available]	medium	1	0	icosapentaenoic acid; omega-3 fatty acid	anticholesteremic drug; antidepressant; antineoplastic agent; Daphnia galeata metabolite; fungal metabolite; micronutrient; mouse metabolite; nutraceutical
metformin	[no description available]	medium	2	0	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
peroxymonosulfate	[no description available]	medium	2	0	sulfur oxide; sulfur oxoanion
ethylenesulfonic acid	[no description available]	medium	1	0
chitosan	[no description available]	medium	1	0
phosphine	[no description available]	medium	1	0	mononuclear parent hydride; phosphanes; phosphine	carcinogenic agent; fumigant insecticide
acrylic acid	[no description available]	medium	2	0	alpha,beta-unsaturated monocarboxylic acid	metabolite
hydroxyproline	[no description available]	medium	3	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
strontium	[no description available]	medium	2	0	alkaline earth metal atom
itraconazole	[no description available]	medium	1	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
glycolic acid	[no description available]	medium	2	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
cannabidiol	[no description available]	medium	1	0	olefinic compound; phytocannabinoid; resorcinols	antimicrobial agent; plant metabolite
dronabinol	[no description available]	medium	2	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
gw 1000	[no description available]	medium	1	0
4,4'-bipyridyl	[no description available]	medium	1	0	bipyridine
chlorine	[no description available]	medium	2	0	diatomic chlorine; gas molecular entity	bleaching agent
n-methylnicotinamide	[no description available]	medium	1	0	pyridinecarboxamide	metabolite
3-hydroxybenzeneacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phenols	human xenobiotic metabolite
niacinamide	[no description available]	medium	7	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
alanine	[no description available]	medium	4	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
homovanillic acid	[no description available]	medium	5	0	guaiacols; monocarboxylic acid	human metabolite; mouse metabolite
formic acid	[no description available]	medium	5	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
pyrazolanthrone	[no description available]	medium	1	0	anthrapyrazole; aromatic ketone; cyclic ketone	antineoplastic agent; c-Jun N-terminal kinase inhibitor; geroprotector
sb 203580	[no description available]	medium	1	0	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
aluminum	[no description available]	medium	2	0	boron group element atom; elemental aluminium; metal atom
9,10-dimethyl-1,2-benzanthracene	[no description available]	medium	1	0	ortho-fused polycyclic arene; tetraphenes	carcinogenic agent
fluorodeoxyglucose f18	[no description available]	medium	1	0	2-deoxy-2-((18)F)fluoro-D-glucose; 2-deoxy-2-fluoro-aldehydo-D-glucose
phenyl-n-tert-butylnitrone	[no description available]	medium	4	0
3-hydroxyaspartic acid	[no description available]	medium	1	0	amino dicarboxylic acid; aspartic acid derivative; C4-dicarboxylic acid; hydroxy-amino acid
arginine	[no description available]	medium	2	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
cynarine	[no description available]	medium	1	0	alkyl caffeate ester; quinic acid	plant metabolite
puerarin	[no description available]	medium	1	0	C-glycosyl compound; isoflavonoid
echinacoside	[no description available]	medium	1	0	oligosaccharide
oleuropein	[no description available]	medium	1	0	beta-D-glucoside; catechols; diester; methyl ester; pyrans; secoiridoid glycoside	anti-inflammatory agent; antihypertensive agent; antineoplastic agent; antioxidant; apoptosis inducer; NF-kappaB inhibitor; nutraceutical; plant metabolite; radical scavenger
glycosides	[no description available]	medium	3	0
iridoids	[no description available]	medium	1	0
pyridine	[no description available]	medium	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
methenamine	[no description available]	medium	1	0	polyazaalkane; polycyclic cage; tetramine	antibacterial drug
tetramic acid	[no description available]	medium	1	0
sr141716	[no description available]	medium	1	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
3-bromopropionic acid	[no description available]	medium	1	0
3-chloropropionic acid	[no description available]	medium	1	0
thiopental	[no description available]	medium	1	0	barbiturates	anticonvulsant; drug allergen; environmental contaminant; intravenous anaesthetic; sedative; xenobiotic
1,2-cyclohexanediamine	[no description available]	medium	1	0	primary aliphatic amine
buthionine sulfoximine	[no description available]	medium	2	0	diastereoisomeric mixture; homocysteines; non-proteinogenic alpha-amino acid; sulfoximide	EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor; ferroptosis inducer
ascorbic acid	[no description available]	medium	5	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
glutathione disulfide	[no description available]	medium	3	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	medium	2	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
2-methylcitric acid	[no description available]	medium	2	0	tricarboxylic acid
propionyl-coenzyme a	[no description available]	medium	2	0	acyl-CoA	Escherichia coli metabolite; metabolite; mouse metabolite
cyanogen bromide	[no description available]	medium	2	0
cyanogen	[no description available]	medium	1	0	dinitrile; pseudohalogen
arsenic	[no description available]	medium	5	0	metalloid atom; pnictogen	micronutrient
p-aminohippuric acid	[no description available]	medium	1	0	N-acylglycine	Daphnia magna metabolite
dicyanmethane	[no description available]	medium	3	0	aliphatic nitrile; dinitrile
histamine	[no description available]	medium	2	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
pyrimidine	[no description available]	medium	2	0	diazine; pyrimidines	Daphnia magna metabolite
5-methoxyindole-2-carboxylic acid	[no description available]	medium	1	0	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite
mercuric chloride	[no description available]	medium	2	0	mercury coordination entity	sensitiser
mercury	[no description available]	medium	2	0	elemental mercury; zinc group element atom	neurotoxin
phlorhizin	[no description available]	medium	1	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
sodium acetate, anhydrous	[no description available]	medium	2	0	organic sodium salt	NMR chemical shift reference compound
hydrogen carbonate	[no description available]	medium	7	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
fluorophosphate	[no description available]	medium	1	0	fluorine molecular entity; phosphoric acid derivative
iodoacetic acid	[no description available]	medium	6	0	haloacetic acid; organoiodine compound	alkylating agent
vitamin b 12	[no description available]	medium	3	0
indoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids; monocarboxylic acid	auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite
methylprednisolone	[no description available]	medium	1	0	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic
folic acid	[no description available]	medium	1	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
isocitric acid	[no description available]	medium	2	0	secondary alcohol; tricarboxylic acid	fundamental metabolite
hydrogen	[no description available]	medium	3	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
ouabain	[no description available]	medium	4	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
picolinic acid	[no description available]	medium	1	0	pyridinemonocarboxylic acid	human metabolite; MALDI matrix material
dipicolinic acid	[no description available]	medium	1	0	pyridinedicarboxylic acid	bacterial metabolite
asparagine	[no description available]	medium	1	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
lactose	[no description available]	medium	2	0	lactose
glycogen	[no description available]	medium	2	0
octanoic acid	[no description available]	medium	2	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
caprylates	[no description available]	medium	2	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
acridine orange	[no description available]	medium	1	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
mannose	[no description available]	medium	1	0	D-aldohexose; D-mannose; mannopyranose	metabolite
acridines	[no description available]	medium	2	0	acridines; mancude organic heterotricyclic parent; polycyclic heteroarene	genotoxin
acid phosphatase	[no description available]	medium	1	0
cardiovascular agents	[no description available]	medium	1	0
succinic semialdehyde	[no description available]	medium	2	0	aldehydic acid	Escherichia coli metabolite; mouse metabolite
diamide	[no description available]	medium	2	0	1,1'-azobis(N,N-dimethylformamide)
biotin	[no description available]	medium	5	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
potassium bicarbonate	[no description available]	medium	1	0	organic salt; potassium salt	antifungal agrochemical; buffer; food acidity regulator; raising agent
nadp	[no description available]	medium	6	0
hexobarbital	[no description available]	medium	3	0	barbiturates
cobamamide	[no description available]	medium	1	0
phenarsazine chloride	[no description available]	medium	1	0
guanine	[no description available]	medium	1	0	2-aminopurines; oxopurine; purine nucleobase	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2,4,5-trimethoxybenzaldehyde	[no description available]	medium	1	0	carbonyl compound
bromine	[no description available]	medium	1	0	diatomic bromine
1,3-dipropyl-8-cyclopentylxanthine	[no description available]	medium	2	0	oxopurine	adenosine A1 receptor antagonist; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
theobromine	[no description available]	medium	1	0	dimethylxanthine	adenosine receptor antagonist; bronchodilator agent; food component; human blood serum metabolite; mouse metabolite; plant metabolite; vasodilator agent
adenosine	[no description available]	medium	1	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
3,7-dimethyl-1-propargylxanthine	[no description available]	medium	1	0
3-nitrotyrosine	[no description available]	medium	6	0	2-nitrophenols; C-nitro compound; nitrotyrosine; non-proteinogenic alpha-amino acid
potassium cyanide	[no description available]	medium	8	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
oxyhyponitrite	[no description available]	medium	1	0
nitroxyl	[no description available]	medium	1	0	nitrogen oxoacid
7-nitroindazole	[no description available]	medium	3	0
indazoles	[no description available]	medium	3	0	indazole
phosphoramidic acid	[no description available]	medium	1	0	phosphoric acid derivative
malondialdehyde	[no description available]	medium	4	0	dialdehyde	biomarker
acetone	[no description available]	medium	2	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
propidium	[no description available]	medium	1	0	phenanthridines; quaternary ammonium ion	fluorochrome; intercalator
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
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine	[no description available]	medium	5	0	methylpyridines; phenylpyridine; tetrahydropyridine	neurotoxin
phosphorylcholine	[no description available]	medium	1	0	phosphocholines	allergen; epitope; hapten; human metabolite; mouse metabolite
zidovudine	[no description available]	medium	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
sterigmatocystin	[no description available]	medium	1	0	sterigmatocystins	metabolite
hexanoic acid	[no description available]	medium	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	human metabolite; plant metabolite
clorgyline	[no description available]	medium	3	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
tert-butyl alcohol	[no description available]	medium	1	0	tertiary alcohol	human xenobiotic metabolite
trifluoromethanesulfonic acid	[no description available]	medium	1	0	one-carbon compound; perfluoroalkanesulfonic acid
hydroxyindoleacetic acid	[no description available]	medium	1	0	indole-3-acetic acids	drug metabolite; human metabolite; mouse metabolite
zm 241385	[no description available]	medium	1	0	diamino-1,3,5-triazine
reserpine	[no description available]	medium	2	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
3,4-dihydroxyphenylacetic acid	[no description available]	medium	6	0	catechols; dihydroxyphenylacetic acid	human metabolite
levodopa	[no description available]	medium	2	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
alpha-methyltyrosine methyl ester	[no description available]	medium	1	0
pivalic acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; methyl-branched fatty acid; short-chain fatty acid
2,2,4-trimethylpentane	[no description available]	medium	1	0	alkane; volatile organic compound	fuel additive; nephrotoxin; non-polar solvent
phosphonoacetamide	[no description available]	medium	2	0
bongkrekic acid	[no description available]	medium	2	0	ether; olefinic compound; tricarboxylic acid	apoptosis inhibitor; ATP/ADP translocase inhibitor; bacterial metabolite; EC 2.5.1.18 (glutathione transferase) inhibitor; toxin
calcimycin	[no description available]	medium	3	0	benzoxazole
peroxynitrous acid	[no description available]	medium	1	0	nitrogen oxoacid
ng-nitroarginine methyl ester	[no description available]	medium	2	0	alpha-amino acid ester; L-arginine derivative; methyl ester; N-nitro compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor
n-methyl-3,4-methylenedioxyamphetamine	[no description available]	medium	5	0	amphetamines; benzodioxoles	neurotoxin
beta carotene	[no description available]	medium	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
sodium nitrate	[no description available]	medium	1	0	inorganic nitrate salt; inorganic sodium salt	fertilizer; NMR chemical shift reference compound
pheophytin a	[no description available]	medium	1	0
chlorophyll a	[no description available]	medium	1	0	chlorophyll; methyl ester	cofactor
astaxanthine	[no description available]	medium	1	0	carotenol; carotenone	animal metabolite; anticoagulant; antioxidant; food colouring; plant metabolite
valproic acid	[no description available]	medium	3	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
pk 11195	[no description available]	medium	1	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
minocycline	[no description available]	medium	3	0
dizocilpine maleate	[no description available]	medium	18	0	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
cytochrome c-t	[no description available]	medium	3	0
microcystin	[no description available]	medium	1	0	peptide
pyrophosphate	[no description available]	medium	3	0	diphosphate ion
laccase	[no description available]	medium	1	0
sulfamic acid	[no description available]	medium	1	0	sulfamic acids
hydroxylamine	[no description available]	medium	3	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
syringaldazine	[no description available]	medium	1	0
1,2,3,4-tetrahydroisoquinoline	[no description available]	medium	1	0	isoquinolines
anandamide	[no description available]	medium	1	0	endocannabinoid; N-acylethanolamine 20:4	human blood serum metabolite; neurotransmitter; vasodilator agent
oxidopamine	[no description available]	medium	6	0	benzenetriol; catecholamine; primary amino compound	drug metabolite; human metabolite; neurotoxin
sodium cyanide	[no description available]	medium	1	0	cyanide salt; one-carbon compound; sodium salt	EC 1.15.1.1 (superoxide dismutase) inhibitor
2,4-dinitrophenol	[no description available]	medium	10	0	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
1-adamantaneacetic acid	[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
tromethamine	[no description available]	medium	1	0	primary amino compound; triol	buffer
sesquiterpenes	[no description available]	medium	1	0
aeruginosin 298-a	[no description available]	medium	1	0
alpha-synuclein	[no description available]	medium	1	0
boric acid	[no description available]	medium	2	0	boric acids	astringent
lead	[no description available]	medium	2	0	carbon group element atom; elemental lead; metal atom	neurotoxin
fluoxetine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
vanoxerine	[no description available]	medium	1	0	ether; N-alkylpiperazine; organofluorine compound; tertiary amino compound	dopamine uptake inhibitor
mannich bases	[no description available]	medium	1	0
epicinchonine	[no description available]	medium	1	0	cinchona alkaloid
3-iodobenzylguanidine	[no description available]	medium	1	0	organoiodine compound
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid	[no description available]	medium	3	0	non-proteinogenic alpha-amino acid
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
4(5)-phenylimidazole	[no description available]	medium	1	0
flaviolin	[no description available]	medium	1	0
2,2'-dipyridyl	[no description available]	medium	3	0	bipyridine	chelator; ferroptosis inhibitor
barium	[no description available]	medium	2	0	alkaline earth metal atom; elemental barium
hydroxypyruvic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid; 3-hydroxy monocarboxylic acid; primary alpha-hydroxy ketone	Escherichia coli metabolite; human metabolite
soraphen a	[no description available]	medium	1	0	cyclic hemiketal; ether; macrolide; olefinic compound	bacterial metabolite; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; teratogenic agent
glycerate 1,3-biphosphate	[no description available]	medium	1	0	2,3-bisphosphoglyceric acid; acyl monophosphate	Escherichia coli metabolite; mouse metabolite
actinorhodin	[no description available]	medium	1	0
potassium bromate	[no description available]	medium	2	0	bromate salt; potassium salt	flour treatment agent
1-naphthylamine	[no description available]	medium	1	0	naphthylamine	human xenobiotic metabolite
delphinidin	[no description available]	medium	2	0	5-hydroxyanthocyanidin	antineoplastic agent; biological pigment; plant metabolite
phytic acid	[no description available]	medium	1	0	inositol phosphate
sodium hydroxide	[no description available]	medium	1	0	alkali metal hydroxide
1,4-dioxane	[no description available]	medium	1	0	dioxane; volatile organic compound	carcinogenic agent; metabolite; NMR chemical shift reference compound; non-polar solvent
radium	[no description available]	medium	1	0	alkaline earth metal atom
lead radioisotopes	[no description available]	medium	1	0
europium	[no description available]	medium	2	0	f-block element atom; lanthanoid atom
hydrogen cyanide	[no description available]	medium	1	0	hydracid; one-carbon compound	Escherichia coli metabolite; human metabolite; poison
oxamic acid	[no description available]	medium	1	0	dicarboxylic acid monoamide	Escherichia coli metabolite
molybdenum	[no description available]	medium	3	0	chromium group element atom	micronutrient
organophosphonates	[no description available]	medium	1	0	divalent inorganic anion; phosphite ion
trifluoroacetic acid	[no description available]	medium	2	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
stigmatellin	[no description available]	medium	1	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
selenium	[no description available]	medium	1	0	chalcogen; nonmetal atom	micronutrient
thorium	[no description available]	medium	2	0	actinoid atom; f-block element atom
ferene-s	[no description available]	medium	1	0
trifluoroacetamide	[no description available]	medium	1	0
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	3	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
oligomycins	[no description available]	medium	7	0
3',5'-diiodothyronine	[no description available]	medium	1	0	phenylalanine derivative
carbon suboxide	[no description available]	medium	1	0	allenes; carbon oxide
3,5-dichlorocatechol	[no description available]	medium	1	0	dichlorocatechol
catechol	[no description available]	medium	1	0	catechols	allelochemical; genotoxin; plant metabolite
carboxyatractyloside	[no description available]	medium	2	0
atractyloside	[no description available]	medium	4	0
rolipram	[no description available]	medium	1	0	pyrrolidin-2-ones	antidepressant; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
paroxetine	[no description available]	medium	1	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
orotic acid	[no description available]	medium	1	0	pyrimidinemonocarboxylic acid	Escherichia coli metabolite; metabolite; mouse metabolite
aniline	[no description available]	medium	1	0	anilines; primary arylamine
cariporide	[no description available]	medium	1	0
2,3,4,6-tetrachlorophenol	[no description available]	medium	1	0	tetrachlorophenol	xenobiotic metabolite
2,4,6-trichlorophenol	[no description available]	medium	1	0	trichlorophenol	carcinogenic agent
1,1-diphenyl-2-picrylhydrazyl	[no description available]	medium	1	0
deoxyribose	[no description available]	medium	1	0	deoxypentose	human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
antipyrylazo iii	[no description available]	medium	1	0
tetraphenylphosphonium	[no description available]	medium	2	0	heteroorganic entity; phosphorus molecular entity; polyatomic cation
egtazic acid	[no description available]	medium	1	0	diether; tertiary amino compound; tetracarboxylic acid	chelator
glucagon	[no description available]	medium	3	0	peptide hormone
dicyclohexylcarbodiimide	[no description available]	medium	1	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
3-o-methylglucose	[no description available]	medium	1	0	D-aldohexose derivative
galactose	[no description available]	medium	1	0
aldosterone	[no description available]	medium	1	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
ethylmaleimide	[no description available]	medium	1	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
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	medium	2	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
ethylenediamine platinum(ii) malonate	[no description available]	medium	1	0
chloroform	[no description available]	medium	3	0	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
n-acetylglutamic acid	[no description available]	medium	1	0	N-acetyl-L-amino acid; N-acyl-L-glutamic acid	human metabolite; Saccharomyces cerevisiae metabolite
ammonium chloride	[no description available]	medium	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
ornithine	[no description available]	medium	1	0	non-proteinogenic L-alpha-amino acid; ornithine	algal metabolite; hepatoprotective agent; mouse metabolite
funiculosin (anthraquinone)	[no description available]	medium	1	0	trihydroxyanthraquinone
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline	[no description available]	medium	1	0	naphthalenes; sulfonic acid derivative
quinoxalines	[no description available]	medium	1	0	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
nitroarginine	[no description available]	medium	2	0	guanidines; L-arginine derivative; N-nitro compound; non-proteinogenic L-alpha-amino acid
thallium	[no description available]	medium	7	0	boron group element atom
transferrin	[no description available]	medium	1	0
sodium fluoride	[no description available]	medium	1	0	fluoride salt	mutagen
n-tert-butyl-(2-sulfophenyl)nitrone	[no description available]	medium	1	0
lamotrigine	[no description available]	medium	3	0	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic
thiabendazole	[no description available]	medium	1	0	1,3-thiazoles; benzimidazole fungicide; benzimidazoles	antifungal agrochemical; antinematodal drug
isophthalate	[no description available]	medium	1	0	dicarboxylic acid dianion
substance p	[no description available]	medium	1	0	peptide	neurokinin-1 receptor agonist; neurotransmitter; vasodilator agent
copper sulfate	[no description available]	medium	1	0	metal sulfate	emetic; fertilizer; sensitiser
swainsonine	[no description available]	medium	1	0	indolizidine alkaloid	antineoplastic agent; EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor; immunological adjuvant; plant metabolite
pipecolic acid	[no description available]	medium	1	0	piperidinemonocarboxylic acid
levamisole	[no description available]	medium	2	0	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator
1-methyl-4-phenylpyridinium	[no description available]	medium	2	0	pyridinium ion	apoptosis inducer; herbicide; human xenobiotic metabolite; neurotoxin
fluorescein	[no description available]	medium	2	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
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
1-butanol	[no description available]	medium	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
lactaldehyde	[no description available]	medium	1	0	hydroxyaldehyde; propanals	mouse metabolite
pyruvaldehyde	[no description available]	medium	1	0	2-oxo aldehyde; propanals	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
duroquinol	[no description available]	medium	1	0	hydroquinones; methylbenzene	bacterial xenobiotic metabolite; volatile oil component
coenzyme q10	[no description available]	medium	3	0	ubiquinones	antioxidant; ferroptosis inhibitor; human metabolite
ly 274614	[no description available]	medium	1	0
acetylcarnitine	[no description available]	medium	1	0	O-acylcarnitine	human metabolite
propionylcarnitine	[no description available]	medium	1	0	O-acylcarnitine	analgesic; antirheumatic drug; cardiotonic drug; human metabolite; peripheral nervous system drug
nystatin a1	[no description available]	medium	1	0	nystatins
phenylpyruvic acid	[no description available]	medium	2	0	2-oxo monocarboxylic acid	chromogenic compound; EC 6.4.1.1 (pyruvate carboxylase) inhibitor; fundamental metabolite
methylphenazonium methosulfate	[no description available]	medium	1	0	azaheterocycle sulfate salt; phenazines
alpha-cyano-4-hydroxycinnamate	[no description available]	medium	2	0
4-chloromercuribenzenesulfonate	[no description available]	medium	2	0	arenesulfonic acid; arylmercury compound
dithionitrobenzoic acid	[no description available]	medium	1	0	nitrobenzoic acid; organic disulfide	indicator
fluorescamine	[no description available]	medium	1	0
aminolevulinic acid	[no description available]	medium	1	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
4,5-dioxovaleric acid	[no description available]	medium	1	0	dioxo monocarboxylic acid
iproniazid	[no description available]	medium	1	0	carbohydrazide; pyridines
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
valerates	[no description available]	medium	1	0	short-chain fatty acid anion; straight-chain saturated fatty acid anion	plant metabolite
3-chloroalanine	[no description available]	medium	1	0	chloroalanine; non-proteinogenic alpha-amino acid; organochlorine compound
cholic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; bile acid; C24-steroid; trihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
3,7,12-trihydroxycoprostanic acid	[no description available]	medium	1	0	12alpha-hydroxy steroid; 3alpha-hydroxy steroid; 7alpha-hydroxy steroid; cholestanoic acid; hydroxy monocarboxylic acid	human metabolite
propionic acid	[no description available]	medium	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
amiloride	[no description available]	medium	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
monomethyl succinate	[no description available]	medium	2	0	dicarboxylic acid monoester; hemisuccinate
butyric acid	[no description available]	medium	2	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
ethylisopropylamiloride	[no description available]	medium	1	0	aromatic amine; guanidines; monocarboxylic acid amide; organochlorine compound; pyrazines; tertiary amino compound	anti-arrhythmia drug; neuroprotective agent; sodium channel blocker
2',7'-bis-(2-carboxyethyl)-5(6)-carboxyfluorescein acetoxymethyl ester	[no description available]	medium	1	0
rhodamine 123	[no description available]	medium	2	0	organic cation; xanthene dye	fluorochrome
veratryl alcohol	[no description available]	medium	2	0	benzyl alcohols; dimethoxybenzene; primary alcohol	fungal metabolite
clonazepam	[no description available]	medium	1	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
fura-2	[no description available]	medium	1	0
diltiazem	[no description available]	medium	2	0	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent
cgp 37157	[no description available]	medium	1	0	benzothiazepine
nigericin	[no description available]	medium	2	0	polycyclic ether	antibacterial agent; antimicrobial agent; bacterial metabolite; potassium ionophore
minoxidil	[no description available]	medium	1	0	dialkylarylamine; tertiary amino compound
5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate	[no description available]	medium	1	0
memantine	[no description available]	medium	1	0	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
methamphetamine	[no description available]	medium	2	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
sodium nitrite	[no description available]	medium	1	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
ethyl fumarate	[no description available]	medium	1	0
thioctic acid	[no description available]	medium	2	0	dithiolanes; heterocyclic fatty acid; thia fatty acid	fundamental metabolite; geroprotector
nikkomycin	[no description available]	medium	1	0
papulacandin b	[no description available]	medium	1	0
tyrphostin a9	[no description available]	medium	2	0	alkylbenzene	geroprotector
cyclosporine	[no description available]	medium	1	0
creatine	[no description available]	medium	2	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
cyclocreatine	[no description available]	medium	1	0
molybdate ion	[no description available]	medium	1	0	divalent inorganic anion; molybdenum oxoanion	Escherichia coli metabolite
thiosulfates	[no description available]	medium	2	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
pimagedine	[no description available]	medium	2	0	guanidines; one-carbon compound	EC 1.14.13.39 (nitric oxide synthase) inhibitor; EC 1.4.3.4 (monoamine oxidase) inhibitor
terbium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
gadolinium	[no description available]	medium	1	0	f-block element atom; lanthanoid atom
conotoxin gv	[no description available]	medium	1	0
conantokin-t	[no description available]	medium	1	0
phosphonoacetic acid	[no description available]	medium	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
cytidine triphosphate	[no description available]	medium	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite
guanosine diphosphate	[no description available]	medium	3	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
flavin-adenine dinucleotide	[no description available]	medium	1	0	flavin adenine dinucleotide; vitamin B2	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; prosthetic group
dithionite	[no description available]	medium	1	0	sulfur oxide; sulfur oxoanion
cycloheximide	[no description available]	medium	1	0	antibiotic fungicide; cyclic ketone; dicarboximide; piperidine antibiotic; piperidones; secondary alcohol	anticoronaviral agent; bacterial metabolite; ferroptosis inhibitor; neuroprotective agent; protein synthesis inhibitor
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone	[no description available]	medium	2	0
selegiline	[no description available]	medium	2	0	selegiline; terminal acetylenic compound	geroprotector
galactose	[no description available]	medium	1	0	D-galactose; galactopyranose	Escherichia coli metabolite; mouse metabolite
apomorphine	[no description available]	medium	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
2h-benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-	[no description available]	medium	1	0
tetrabenazine	[no description available]	medium	1	0	benzoquinolizine; cyclic ketone; tertiary amino compound
maitotoxin	[no description available]	medium	1	0
5-methoxytryptamine	[no description available]	medium	1	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
tryptophan	[no description available]	medium	1	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
tryptophan methyl ester	[no description available]	medium	1	0
nitrogenase	[no description available]	medium	1	0
phenylglyoxylic acid	[no description available]	medium	1	0	2-oxo monocarboxylic acid	biomarker; human xenobiotic metabolite
alloxan	[no description available]	medium	1	0	pyrimidone	hyperglycemic agent; metabolite
toluene	[no description available]	medium	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
veratraldehyde	[no description available]	medium	1	0	benzaldehydes; dimethoxybenzene	antifungal agent
nipecotic acid	[no description available]	medium	1	0	beta-amino acid; piperidinemonocarboxylic acid
muscimol	[no description available]	medium	1	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
n-(4,4-diphenyl-3-butenyl)nipecotic acid	[no description available]	medium	1	0	diarylmethane
nnc 711	[no description available]	medium	2	0
n-acetylaspartic acid	[no description available]	medium	1	0	N-acetyl-L-amino acid; N-acyl-L-aspartic acid	antioxidant; human metabolite; mouse metabolite; nutraceutical; rat metabolite
propane	[no description available]	medium	1	0	alkane; gas molecular entity	food propellant
benzohydroxamic acid	[no description available]	medium	1	0
maleic hydrazide	[no description available]	medium	1	0	pyridazinone
inosinic acid	[no description available]	medium	1	0	inosine phosphate; purine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc	[no description available]	medium	1	0	amino tetrasaccharide; glucosamine oligosaccharide	epitope
amitrole	[no description available]	medium	1	0	aromatic amine; triazoles	carotenoid biosynthesis inhibitor; EC 1.11.1.6 (catalase) inhibitor; herbicide
azobenzene	[no description available]	medium	1	0	azobenzenes
uranium	[no description available]	medium	1	0	actinoid atom; f-block element atom; monoatomic uranium
4-bromophenacyl bromide	[no description available]	medium	1	0
carbidopa	[no description available]	medium	1	0
sulpiride	[no description available]	medium	1	0	benzamides; N-alkylpyrrolidine; sulfonamide	antidepressant; antiemetic; antipsychotic agent; dopaminergic antagonist
racemetirosine	[no description available]	medium	1	0
cafenstrole	[no description available]	medium	1	0	benzenes; sulfone; triazoles	agrochemical; antimitotic; herbicide
alachlor	[no description available]	medium	1	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
oleic acid	[no description available]	medium	4	0	octadec-9-enoic acid	antioxidant; Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; Escherichia coli metabolite; mouse metabolite; plant metabolite; solvent
bilirubin	[no description available]	medium	1	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
bacteriochlorophylls	[no description available]	medium	1	0
cyanuric acid	[no description available]	medium	1	0	1,3,5-triazinanes; 1,3,5-triazines; heteroaryl hydroxy compound	xenobiotic
nonactin	[no description available]	medium	1	0
fonofos	[no description available]	medium	1	0	organic thiophosphate; organothiophosphate insecticide	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
lithium	[no description available]	medium	1	0	alkali metal atom
2-aminoisobutyric acid	[no description available]	medium	1	0	2,2-dialkylglycine zwitterion; 2,2-dialkylglycine
rotenolone	[no description available]	medium	1	0	organic molecular entity	metabolite
rhein	[no description available]	medium	1	0	dihydroxyanthraquinone
carboxin	[no description available]	medium	1	0	anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
ubiquinol	[no description available]	medium	1	0	polyprenylhydroquinone; ubiquinol	biomarker; metabolite
quinic acid	[no description available]	medium	1	0
cyanidin	[no description available]	medium	1	0	5-hydroxyanthocyanidin	antioxidant; metabolite; neuroprotective agent
beta-methylcrotonylglycine	[no description available]	medium	1	0	N-acylglycine	metabolite
isovaleric acid	[no description available]	medium	1	0	branched-chain saturated fatty acid; methylbutyric acid; short-chain fatty acid	mammalian metabolite; plant metabolite
valinomycin	[no description available]	medium	4	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
thyroxine	[no description available]	medium	1	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
triphenylmethylphosphonium	[no description available]	medium	1	0
1-carboxyglutamic acid	[no description available]	medium	1	0
bromthymol blue	[no description available]	medium	1	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; polyphenol; sultone	acid-base indicator; dye; two-colour indicator
arsenazo iii	[no description available]	medium	1	0
2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein	[no description available]	medium	1	0
diflufenican	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
4-hydroxymercuribenzoate	[no description available]	medium	1	0
azetidyl-2-carboxylic acid	[no description available]	medium	1	0	azetidine-2-carboxylic acid
desthiobiotin	[no description available]	medium	1	0	dethiobiotin
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid	[no description available]	medium	1	0
barium chloride	[no description available]	medium	1	0	barium salt; inorganic chloride	potassium channel blocker
4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid	[no description available]	medium	1	0	stilbenoid
iproclozide	[no description available]	medium	1	0	aromatic ether
ombuoside	[no description available]	medium	1	0
rutin	[no description available]	medium	1	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
thallium sulfate	[no description available]	medium	1	0	metal sulfate; thallium molecular entity	insecticide; rodenticide
calcium oxalate	[no description available]	medium	1	0	organic calcium salt
malonamic acid	[no description available]	medium	1	0	beta-alanine derivative
kathon cg	[no description available]	medium	1	0
sodium bicarbonate	[no description available]	medium	1	0	one-carbon compound; organic sodium salt	antacid; food anticaking agent
inosine diphosphate	[no description available]	medium	1	0	inosine phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite
3-mercaptopicolinic acid	[no description available]	medium	1	0
benzene 1,2,3-tricarboxylic acid	[no description available]	medium	1	0
myxothiazol	[no description available]	medium	1	0
sodium oxybate	[no description available]	medium	2	0
acetoacetic acid	[no description available]	medium	1	0	3-oxo fatty acid; ketone body	metabolite
mesoxalic acid	[no description available]	medium	1	0	oxo dicarboxylic acid
potassium chloride	[no description available]	medium	1	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
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
1,5-difluoro-2,4-dinitrobenzene	[no description available]	medium	1	0
glutaral	[no description available]	medium	1	0	dialdehyde	cross-linking reagent; disinfectant; fixative
dimethyl suberimidate	[no description available]	medium	1	0
disuccinimidyl tartarate	[no description available]	medium	1	0
nafronyl	[no description available]	medium	1	0	naphthalenes
cis-vaccenic acid	[no description available]	medium	1	0	vaccenic acid
diethyl pyrocarbonate	[no description available]	medium	1	0	acyclic carboxylic anhydride
chloroacetone	[no description available]	medium	1	0	alpha-chloroketone
cyanamide	[no description available]	medium	1	0	nitrile; one-carbon compound	EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor
chloral hydrate	[no description available]	medium	1	0	aldehyde hydrate; ethanediol; organochlorine compound	general anaesthetic; mouse metabolite; sedative; xenobiotic
iodoacetamide	[no description available]	medium	1	0
4'-phosphopantetheine	[no description available]	medium	1	0	pantetheine 4'-phosphate	prosthetic group
pantetheine	[no description available]	medium	1	0	pantetheines; thiol	human metabolite; metabolite; mouse 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-hydroxykynurenine	[no description available]	low	0	0	hydroxykynurenine	human metabolite
3-oxoadipic acid	[no description available]	low	0	0	dicarboxylic fatty acid; oxo dicarboxylic acid	bacterial xenobiotic metabolite; human metabolite
3-mercaptopyruvic acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; thiol	antidote to cyanide poisoning; Escherichia coli metabolite; human metabolite; mouse metabolite
phosphoserine	[no description available]	low	0	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	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
5-hydroxytryptophan	[no description available]	low	0	0	hydroxytryptophan	human metabolite; neurotransmitter
acetaldehyde	[no description available]	low	0	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
acetyl phosphate	[no description available]	low	0	0	acyl monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
adenine	[no description available]	low	0	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
allantoin	[no description available]	low	0	0	imidazolidine-2,4-dione; ureas	Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite; vulnerary
betaine aldehyde	[no description available]	low	0	0	quaternary ammonium ion	Aspergillus metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite
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
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
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
pyrrolidonecarboxylic acid	[no description available]	low	0	0	oxoproline; pyrrolidin-2-ones; pyrrolidinemonocarboxylic acid	human metabolite
alpha-keto-delta-guanidinovaleric acid	[no description available]	low	0	0	2-oxo monocarboxylic acid; zwitterion	human metabolite; mouse metabolite
cytosine	[no description available]	low	0	0	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
dihydrouracil	[no description available]	low	0	0	pyrimidone	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
dihydrolipoamide	[no description available]	low	0	0	dithiol; monocarboxylic acid amide	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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
dimethylglycine	[no description available]	low	0	0	amino acid zwitterion; N-methyl-amino acid; N-methylglycines	Daphnia magna metabolite; human metabolite; mouse 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
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
glycocyamine	[no description available]	low	0	0	guanidinoacetic acids; zwitterion	bacterial metabolite; human metabolite; mouse metabolite; nutraceutical; rat metabolite
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
potassium	[no description available]	low	0	0	alkali metal cation; elemental potassium; monoatomic monocation; monovalent inorganic cation	cofactor; human metabolite
dihydroxyphenylalanine	[no description available]	low	0	0	hydroxyphenylalanine; non-proteinogenic alpha-amino acid; tyrosine derivative	human metabolite
kynurenine	[no description available]	low	0	0	aromatic ketone; non-proteinogenic alpha-amino acid; substituted aniline	human metabolite
lipoamide	[no description available]	low	0	0	dithiolanes; monocarboxylic acid amide	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
methylmercaptan	[no description available]	low	0	0	alkanethiol	human metabolite; Saccharomyces cerevisiae metabolite
melatonin	[no description available]	low	0	0	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
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
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
phosphorylethanolamine	[no description available]	low	0	0	phosphoethanolamine; primary amino compound	algal metabolite; human metabolite; mouse metabolite
pyridoxal	[no description available]	low	0	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxamine	[no description available]	low	0	0	aminoalkylpyridine; hydroxymethylpyridine; monohydroxypyridine; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae metabolite
pyridoxamine phosphate	[no description available]	low	0	0	aminoalkylpyridine; methylpyridines; monohydroxypyridine; vitamin B6 phosphate	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine	[no description available]	low	0	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
sarcosine	[no description available]	low	0	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
thiamine	[no description available]	low	0	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
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
tryptamine	[no description available]	low	0	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
uric acid	[no description available]	low	0	0	uric acid	Escherichia coli metabolite; human metabolite; mouse 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
3-hydroxy-4-methoxyphenethylamine	[no description available]	low	0	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite
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
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
nifedipine	[no description available]	low	0	0	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
sebacic acid	[no description available]	medium	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
succinylacetone	[no description available]	low	0	0	beta-diketone; dioxo monocarboxylic acid	human 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
tyramine	[no description available]	low	0	0	monoamine molecular messenger; primary amino compound; tyramines	EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter
estriol	[no description available]	low	0	0	16alpha-hydroxy steroid; 17beta-hydroxy steroid; 3-hydroxy steroid	estrogen; human metabolite; human xenobiotic metabolite; mouse metabolite
sorbitol	[no description available]	low	0	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
thymidine	[no description available]	low	0	0	pyrimidine 2'-deoxyribonucleoside	Escherichia coli metabolite; human metabolite; 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
sucrose	[no description available]	low	0	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
uridine	[no description available]	low	0	0	uridines	drug metabolite; fundamental 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
cytidine monophosphate	[no description available]	low	0	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli 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
cytidine	[no description available]	low	0	0	cytidines	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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
valine	[no description available]	low	0	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
threonine	[no description available]	low	0	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
isoleucine	[no description available]	low	0	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
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
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
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
diiodotyrosine	[no description available]	low	0	0	diiodotyrosine; L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	human metabolite; mouse metabolite
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
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]	medium	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human metabolite
hexadecanedioic acid	[no description available]	medium	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
pyridoxamine dihydrochloride	[no description available]	low	0	0	hydrochloride; vitamin B6	Escherichia coli metabolite; human metabolite; iron chelator; mouse metabolite; nephroprotective agent; plant metabolite; Saccharomyces cerevisiae 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
galactitol	[no description available]	low	0	0	hexitol	Escherichia coli metabolite; human metabolite; metabolite; mouse metabolite
acetylcysteine	[no description available]	low	0	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
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
homoserine	[no description available]	low	0	0	amino acid zwitterion; homoserine	algal metabolite; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
dodecanedioic acid	[no description available]	medium	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
dithiothreitol	[no description available]	low	0	0	1,4-dimercaptobutane-2,3-diol; butanediols; dithiol; glycol; thiol	chelator; human metabolite; reducing agent
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
iron	[no description available]	low	0	0	divalent metal cation; iron cation; monoatomic dication	cofactor; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
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
ursodeoxycholic acid	[no description available]	low	0	0	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
pregnanolone	[no description available]	low	0	0	3-hydroxy-5beta-pregnan-20-one; 3alpha-hydroxy steroid	human metabolite; intravenous anaesthetic; sedative
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
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
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
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
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
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
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
dehydroalanine	[no description available]	low	0	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
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]	medium	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
aceglutamide	[no description available]	low	0	0	N-acetyl-L-amino acid; N(2)-acetylglutamine; N(2)-acyl-L-glutamine	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
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
carnosine	[no description available]	low	0	0	amino acid zwitterion; dipeptide	anticonvulsant; antineoplastic agent; antioxidant; Daphnia magna metabolite; geroprotector; human metabolite; mouse metabolite; neuroprotective agent
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
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
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
cortodoxone	[no description available]	low	0	0	deoxycortisol; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	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
flavin mononucleotide	[no description available]	low	0	0	flavin mononucleotide; vitamin B2	bacterial metabolite; coenzyme; cofactor; human metabolite; mouse 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
sphingosine	[no description available]	low	0	0	sphing-4-enine	human metabolite; mouse metabolite
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
prostaglandin d3	[no description available]	low	0	0	prostaglandins D	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
vitamin k 1	[no description available]	low	0	0	phylloquinones; vitamin K	cofactor; human metabolite; plant 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
adenosine triphosphate	[no description available]	low	0	0	nucleoside 5'-triphoshate(4-)	cofactor; fundamental metabolite; human 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
biotinate	[no description available]	low	0	0	monocarboxylic acid anion; vitamin B7	cofactor; human metabolite; Saccharomyces cerevisiae 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
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
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
cob(ii)alamin	[no description available]	low	0	0	cobalamin	cofactor; human 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
s-adenosylmethionine	[no description available]	low	0	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; 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
deoxyguanosine	[no description available]	low	0	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse 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
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
sapropterin	[no description available]	low	0	0	5,6,7,8-tetrahydrobiopterin	coenzyme; cofactor; diagnostic agent; human 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
tridecanedioic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
2,3-dimethylsuccinic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	chelator
3-methylglutaric acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
3-methyladipic acid	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	human urinary metabolite
3,3-dimethylglutarate	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	metabolite
medica 16	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; G-protein-coupled receptor agonist; hypoglycemic agent
3-hydroxyglutaric acid	[no description available]	low	0	0	3-hydroxy carboxylic acid; alpha,omega-dicarboxylic acid	human blood serum metabolite; human urinary metabolite
20-carboxyleukotriene b4	[no description available]	low	0	0	alpha,omega-dicarboxylic acid; hydroxy carboxylic acid; leukotriene	human blood serum metabolite; human urinary metabolite
etc-1002	[no description available]	low	0	0	alpha,omega-dicarboxylic acid	antilipemic drug; EC 2.3.3.8 (ATP citrate synthase) inhibitor; prodrug

Article	Year
Protective effect of 3-n-butylphthalide against intrastriatal injection of malonic acid-induced neurotoxicity and biochemical alteration in rats. Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie, Volume: 155	2022
Caffeic acid and caffeine attenuate toxicity associated with malonic or methylmalonic acid exposure in Drosophila melanogaster. Naunyn-Schmiedeberg's archives of pharmacology, Volume: 394, Issue: 2	2021
Siderophore-mediated iron removal from chrysotile: Implications for asbestos toxicity reduction and bioremediation. Journal of hazardous materials, Jan-05, Volume: 341	2018
Cystamine and ethyl-eicosapentaenoic acid treatment fail to prevent malonate-induced striatal toxicity in mice. Neurobiology of aging, Volume: 32, Issue: 12	2011
Protective effect of montelukast against quinolinic acid/malonic acid induced neurotoxicity: possible behavioral, biochemical, mitochondrial and tumor necrosis factor-α level alterations in rats. Neuroscience, Nov-24, Volume: 171, Issue: 1	2010
Cannabinoid CB2 receptor agonists protect the striatum against malonate toxicity: relevance for Huntington's disease. Glia, Aug-15, Volume: 57, Issue: 11	2009
Serotonin transporter expression is not sufficient to confer cytotoxicity to 3,4-methylenedioxymethamphetamine (MDMA) in vitro. Journal of psychopharmacology (Oxford, England), Volume: 20, Issue: 2	2006
Studies on striatal neurotoxicity caused by the 3,4-methylenedioxymethamphetamine/ malonate combination: implications for serotonin/dopamine interactions. Journal of psychopharmacology (Oxford, England), Volume: 20, Issue: 2	2006
1,2,3,4-Tetrahydroisoquinoline protects terminals of dopaminergic neurons in the striatum against the malonate-induced neurotoxicity. Brain research, Jul-27, Volume: 1051, Issue: 1-2	2005
In vivo studies on the protective role of minocycline against excitotoxicity caused by malonate or N-methyl-d-aspartate. Experimental neurology, Volume: 191, Issue: 2	2005
Effects of mitochondrial dysfunction on glutamate receptor-mediated neurotoxicity in cultured rat spinal motor neurons. Brain research, Jul-23, Volume: 1015, Issue: 1-2	2004
Cytotoxicity and photocytotoxicity of a dendritic C(60) mono-adduct and a malonic acid C(60) tris-adduct on Jurkat cells. Journal of photochemistry and photobiology. B, Biology, Volume: 67, Issue: 3	2002
Neurodegeneration in methylmalonic aciduria involves inhibition of complex II and the tricarboxylic acid cycle, and synergistically acting excitotoxicity. The Journal of biological chemistry, Apr-26, Volume: 277, Issue: 17	2002
Photo-induced cytotoxicity of malonic acid [C(60)]fullerene derivatives and its mechanism. Toxicology in vitro : an international journal published in association with BIBRA, Volume: 16, Issue: 1	2002
Dopamine mediates striatal malonate toxicity via dopamine transporter-dependent generation of reactive oxygen species and D2 but not D1 receptor activation. Journal of neurochemistry, Volume: 79, Issue: 1	2001
Enhancement of 3,4-methylenedioxymethamphetamine neurotoxicity by the energy inhibitor malonate. Journal of neurochemistry, Volume: 77, Issue: 2	2001
Attenuation of malonate toxicity in primary mesencephalic cultures using the GABA transport blocker, NO-711. Journal of neuroscience research, Apr-01, Volume: 64, Issue: 1	2001
Role of corticostriatal and nigrostriatal inputs in malonate-induced striatal toxicity. Neuroreport, Jan-22, Volume: 12, Issue: 1	2001
Age-dependence of malonate-induced striatal toxicity. Experimental brain research, Volume: 134, Issue: 3	2000
Malonate and 3-nitropropionic acid neurotoxicity are reduced in transgenic mice expressing a caspase-1 dominant-negative mutant. Journal of neurochemistry, Volume: 75, Issue: 2	2000
Neuroprotective effects of creatine administration against NMDA and malonate toxicity. Brain research, Mar-31, Volume: 860, Issue: 1-2	2000
Oxidative stress during energy impairment in mesencephalic cultures is not a downstream consequence of a secondary excitotoxicity. Neuroscience, Volume: 96, Issue: 2	2000
Novel free radical spin traps protect against malonate and MPTP neurotoxicity. Experimental neurology, Volume: 157, Issue: 1	1999
Excitotoxicity and oxidative stress during inhibition of energy metabolism. Developmental neuroscience, Volume: 20, Issue: 4-5	1998
Manipulation of membrane potential modulates malonate-induced striatal excitotoxicity in vivo. Journal of neurochemistry, Volume: 66, Issue: 2	1996
Selective cellular acidification and toxicity of weak organic acids in an acidic microenvironment. British journal of cancer, Volume: 68, Issue: 6	1993
Basic fibroblast growth factor protects against excitotoxicity and chemical hypoxia in both neonatal and adult rats. Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism, Volume: 15, Issue: 4	1995
Selective vulnerability of the CA1 region of hippocampus to the indirect excitotoxic effects of malonic acid. Neuroscience letters, Jun-02, Volume: 192, Issue: 1	1995
Exacerbation of NMDA, AMPA, and L-glutamate excitotoxicity by the succinate dehydrogenase inhibitor malonate. Journal of neurochemistry, Volume: 64, Issue: 5	1995
The mitochondrial inhibitor malonate enhances NMDA toxicity in the neonatal rat striatum. Brain research. Developmental brain research, Aug-28, Volume: 88, Issue: 1	1995
Comparative effects of several chelating agents on the toxicity, distribution and excretion of aluminium. Human toxicology, Volume: 7, Issue: 3	1988
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Chronic administration of malonic acid produces selective neural degeneration and transient changes in calbindin immunoreactivity in rat striatum. Experimental neurology, Volume: 134, Issue: 2	1995
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Determining the solubilities for benzoate, nicotinate, hydrochloride, and malonate salts of bedaquiline. International journal of pharmaceutics, Nov-05, Volume: 627	2022
Glibenclamide-malonic acid cocrystal with an enhanced solubility and bioavailability. Drug development and industrial pharmacy, Volume: 48, Issue: 8	2022
Multicomponent solid forms of felodipine: preparation, characterisation, physicochemical and in-vivo studies. The Journal of pharmacy and pharmacology, Volume: 69, Issue: 3	2017
Organic acids enhance bioavailability of tetracycline in water to Escherichia coli for uptake and expression of antibiotic resistance. Water research, Nov-15, Volume: 65	2014
87Sr solid-state NMR as a structurally sensitive tool for the investigation of materials: antiosteoporotic pharmaceuticals and bioactive glasses. Journal of the American Chemical Society, Aug-01, Volume: 134, Issue: 30	2012
Characterization of thermal behavior of deep eutectic solvents and their potential as drug solubilization vehicles. International journal of pharmaceutics, Aug-13, Volume: 378, Issue: 1-2	2009
Riluzole protects from motor deficits and striatal degeneration produced by systemic 3-nitropropionic acid intoxication in rats. Neuroscience, Volume: 81, Issue: 1	1997
L-O-(2-malonyl)tyrosine: a new phosphotyrosyl mimetic for the preparation of Src homology 2 domain inhibitory peptides. Journal of medicinal chemistry, Oct-13, Volume: 38, Issue: 21	1995
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Ilex paraguariensis Attenuates Changes in Mortality, Behavioral and Biochemical Parameters Associated to Methyl Malonate or Malonate Exposure in Drosophila melanogaster. Neurochemical research, Volume: 44, Issue: 9	2019
Determination of oxybutynin in pharmaceuticals via reaction with mixed acids anhydrides: application to content uniformity testing. Journal of fluorescence, Volume: 21, Issue: 2	2011
Further observations of aldosterone response in barnacle muscle fibers. The American journal of physiology, Volume: 245, Issue: 3	1983
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

malonic acid

Description

Cross-References

Synonyms (95)

Research Excerpts

Overview

Effects

Roles (1)

Drug Classes (1)

Pathways (3)

Protein Targets (42)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (140)

Molecular Functions (39)

Ceullar Components (33)

Bioassays (41)

Research

Studies (866)

Study Types

Research Highlights

Safety/Toxicity (32)

Long-term Use (1)

Pharmacokinetics (2)

Bioavailability (8)

Dosage (3)

Article	Year
Study of naproxen in some aqueous solutions of choline-based deep eutectic solvents: Solubility measurements, volumetric and compressibility properties. International journal of pharmaceutics, Jun-10, Volume: 564	2019
Solubility, volumetric and compressibility properties of acetaminophen in some aqueous solutions of choline based deep eutectic solvents at T=(288.15 to 318.15) K. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Nov-15, Volume: 109	2017
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

malonic acid

Description

Cross-References

Synonyms (95)

Research Excerpts

Overview

Effects

Roles (1)

Drug Classes (1)

Pathways (3)

Protein Targets (42)

Potency Measurements

Inhibition Measurements

Activation Measurements

Biological Processes (140)

Molecular Functions (39)

Ceullar Components (33)

Bioassays (41)

Research

Studies (866)

Study Types

Related Drugs (1,346)

Related Conditions (833)

Research Highlights

Safety/Toxicity (32)

Long-term Use (1)

Pharmacokinetics (2)

Bioavailability (8)

Dosage (3)