Page last updated: 2024-11-04

betaine aldehyde

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

betaine aldehyde : A quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine. [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]

FloraRankFlora DefinitionFamilyFamily Definition
GlycinegenusA non-essential amino acid. It is found primarily in gelatin and silk fibroin and used therapeutically as a nutrient. It is also a fast inhibitory neurotransmitter.[MeSH]FabaceaeThe large family of plants characterized by pods. Some are edible and some cause LATHYRISM or FAVISM and other forms of poisoning. Other species yield useful materials like gums from ACACIA and various LECTINS like PHYTOHEMAGGLUTININS from PHASEOLUS. Many of them harbor NITROGEN FIXATION bacteria on their roots. Many but not all species of beans belong to this family.[MeSH]

Cross-References

ID SourceID
PubMed CID249
CHEMBL ID1231491
CHEBI ID15710
SCHEMBL ID94563
MeSH IDM0087714

Synonyms (43)

Synonym
CHEMBL1231491
n,n,n-trimethyl-2-oxoethanaminium
CHEBI:15710 ,
NCGC00015151-01
lopac-b-3650
BTL ,
LOPAC0_000182
ammonium, (formylmethyl)trimethyl- (8ci)
trimethyl(formylmethyl)ammonium
ethanaminium, n,n,n-trimethyl-2-oxo- (9ci)
ethanaminium, n,n,n-trimethyl-2-oxo
(formylmethyl)trimethylammonium
7418-61-3
n,n,n-trimethyl-2-oxoethylammonium
C00576
betaine aldehyde
glycine betaine aldehyde
DB04401
NCGC00162083-01
betaine aldehyde, chloride salt
NCGC00015151-03
BMSE000070
ethanaminium, n,n,n-trimethyl-2-oxo-
FT-0659193
trimethyl(2-oxoethyl)azanium
unii-dei7v5x7rb
dei7v5x7rb ,
CCG-204277
NCGC00015151-02
AKOS015915257
SCHEMBL94563
DTXSID20225152
SXKNCCSPZDCRFD-UHFFFAOYSA-N
betaine-aldehyde
n,n,n-trimethyl-2-oxo-ethanaminium
(formylmethyl)trimethyl-ammonium
n,n,n-trimethyl-2-oxo ethanaminium
[formylmethyl]trimethyl-ammonium; n,n,n-trimethyl ammonium acetaldehyde
bdbm50557959
ammonium, (formylmethyl)trimethyl-
Q10859645
[formylmethyl]trimethyl-ammonium, n,n,n-trimethylammonium acetaldehyde
NCGC00015151-04

Research Excerpts

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (5)

RoleDescription
human metaboliteAny mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metaboliteAny bacterial metabolite produced during a metabolic reaction in Escherichia coli.
plant metaboliteAny eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Aspergillus metaboliteAny fungal metabolite produced during a metabolic reaction in the mould, Aspergillus.
mouse metaboliteAny mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (1)

ClassDescription
quaternary ammonium ionA derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.
[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]

Pathways (28)

PathwayProteinsCompounds
Metabolism14961108
Amino acid and derivative metabolism250260
Choline catabolism614
Betaine Metabolism818
Sulfur Metabolism2833
Sulfur Metabolism (Butanesulfonate)2834
Sulfur Metabolism (Propanesulfonate)2834
Sulfur Metabolism (Ethanesulfonate)2834
Sulfur Metabolism (Isethionate)2834
Sulfur Metabolism (Methanesulfonate)2834
Sarcosine Oncometabolite Pathway1321
Glycine Betaine Biosynthesis I621
Glycine Betaine Biosynthesis II824
choline degradation I27
glycine betaine biosynthesis III (plants)19
Renz2020 - GEM of Human alveolar macrophage with SARS-CoV-20490
Diet-dependent trimethylamine/trimethylamine N-oxide metabolism112
superpathway of choline degradation to L-serine714
choline degradation27
choline degradation IV211
choline-O-sulfate degradation416
choline degradation II18
choline degradation I713
glycine betaine degradation I825
glycine betaine biosynthesis III (plants)29
glycine betaine biosynthesis II (Gram-positive bacteria)210
glycine betaine biosynthesis I (Gram-negative bacteria)221
Biochemical pathways: part I0466
MTHFR deficiency1515
Glycine betaine biosynthesis08

Protein Targets (5)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
thyroid stimulating hormone receptorHomo sapiens (human)Potency0.01260.001318.074339.8107AID926
euchromatic histone-lysine N-methyltransferase 2Homo sapiens (human)Potency4.46680.035520.977089.1251AID504332
muscarinic acetylcholine receptor M1Rattus norvegicus (Norway rat)Potency25.11890.00106.000935.4813AID943
ATP-dependent phosphofructokinaseTrypanosoma brucei brucei TREU927Potency37.93300.060110.745337.9330AID485368
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (25)

Assay IDTitleYearJournalArticle
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347058CD47-SIRPalpha protein protein interaction - HTRF assay qHTS validation2019PloS one, , Volume: 14, Issue:7
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID588349qHTS for Inhibitors of ATXN expression: Validation of Cytotoxic Assay
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347050Natriuretic polypeptide receptor (hNpr2) antagonism - Pilot subtype selectivity assay2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1347405qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS LOPAC collection2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID504836Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in human glioma: Validation2002The Journal of biological chemistry, Apr-19, Volume: 277, Issue:16
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.
AID1347045Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot counterscreen GloSensor control cell line2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID588378qHTS for Inhibitors of ATXN expression: Validation
AID1347059CD47-SIRPalpha protein protein interaction - Alpha assay qHTS validation2019PloS one, , Volume: 14, Issue:7
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347410qHTS for inhibitors of adenylyl cyclases using a fission yeast platform: a pilot screen against the NCATS LOPAC library2019Cellular signalling, 08, Volume: 60A fission yeast platform for heterologous expression of mammalian adenylyl cyclases and high throughput screening.
AID1347057CD47-SIRPalpha protein protein interaction - LANCE assay qHTS validation2019PloS one, , Volume: 14, Issue:7
Quantitative high-throughput screening assays for the discovery and development of SIRPα-CD47 interaction inhibitors.
AID1347151Optimization of GU AMC qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347049Natriuretic polypeptide receptor (hNpr1) antagonism - Pilot screen2019Science translational medicine, 07-10, Volume: 11, Issue:500
Inhibition of natriuretic peptide receptor 1 reduces itch in mice.
AID1725447Inhibition of Clostridium sporogenes CutC assessed as TMA formation by LC-MS/MS2020ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10
Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
AID1725444Inhibition of Escherichia coli MS 69-1 CutC assessed as TMA formation by LC-MS/MS2020ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10
Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
AID1725448Inhibition of TMA formation in human fecal suspension by LC-MS/MS2020ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10
Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
AID1725445Inhibition of Proteus mirabilis CutC assessed as TMA formation by LC-MS/MS2020ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10
Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
AID1710670Inhibition of N-terminal His6-tagged Desulfovibrio desulfuricans G20 CutC encoding 52 residues assessed as reduction in acetaldehyde using choline as substrate in presence of NADH-dependent yeast alcohol dehydrogenase by UV-Vis absorbance based assay2020RSC medicinal chemistry, Dec-17, Volume: 11, Issue:12
A benzoxazole derivative as an inhibitor of anaerobic choline metabolism by human gut microbiota.
AID1725446Inhibition of Klebsiella sp. MS 92-3 CutC assessed as TMA formation by LC-MS/MS2020ACS medicinal chemistry letters, Oct-08, Volume: 11, Issue:10
Discovery of a Cyclic Choline Analog That Inhibits Anaerobic Choline Metabolism by Human Gut Bacteria.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (61)

TimeframeStudies, This Drug (%)All Drugs %
pre-19904 (6.56)18.7374
1990's10 (16.39)18.2507
2000's17 (27.87)29.6817
2010's19 (31.15)24.3611
2020's11 (18.03)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 36.79

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index36.79 (24.57)
Research Supply Index4.13 (2.92)
Research Growth Index5.02 (4.65)
Search Engine Demand Index34.82 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (36.79)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other61 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]