Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:43:33 UTC
Update Date2022-08-31 17:19:11 UTC
Metabolite IDMMDBc0029833
Metabolite Identification
Common NameMethylisocitric acid
DescriptionMethylisocitric acid is a product of bacterial metabolism in the gut. It can be produced by 2-methylisocitrate lyase and by 2-methylisocitrate dehydratase.
Structure
Synonyms
ValueSource
3-Carboxy-2,3-dideoxy-4-C-methylpentaric acidChEBI
alpha-Methylisocitric acidChEBI
3-Carboxy-2,3-dideoxy-4-C-methylpentarateGenerator
a-MethylisocitrateGenerator
a-Methylisocitric acidGenerator
alpha-MethylisocitrateGenerator
Α-methylisocitrateGenerator
Α-methylisocitric acidGenerator
MethylisocitrateGenerator
3-Hydroxy-1,2,3-butanetricarboxylateMeSH
DL-Threo-alpha-methylisocitrateMeSH
Threo-alpha-methylisocitrate, (3)H-labeledMeSH
(2R,3S)2-MethylisocitrateHMDB
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylateHMDB
3-Hydroxy-1,2,3-butanetricarboxylic acidHMDB
3-Hydroxybutane-1,2,3-tricarboxylic acidHMDB
D.L-methylisocitrateHMDB
DL-Methylisocitric acidHMDB
threo-alpha-MethylisocitrateHMDB, MeSH
Molecular FormulaC7H10O7
Average Mass206.1501
Monoisotopic Mass206.042652674
IUPAC Name1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
Traditional Nameα-methylisocitric acid
CAS Registry NumberNot Available
SMILES
CC(O)(C(CC(O)=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChI KeyHHKPKXCSHMJWCF-UHFFFAOYSA-N