Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:27:47 UTC
Update Date2022-08-31 21:48:43 UTC
Metabolite IDMMDBc0032930
Metabolite Identification
Common NameHomoisocitric acid
Description
Structure
Synonyms
ValueSource
3-Carboxy-2-hydroxyadipateKegg
(-)-1-Hydroxy-1,2,4-butanetricarboxylateKegg
(1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylateKegg
(-)-Threo-homoisocitrateKegg
3-Carboxy-2-hydroxyadipic acidGenerator
(-)-1-Hydroxy-1,2,4-butanetricarboxylic acidGenerator
(1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylic acidGenerator
(-)-Threo-homoisocitric acidGenerator
HomoisocitrateGenerator
Homoisocitric acidGenerator
1-Hydroxy-1,2,4-butanetricarboxylic acidMeSH
Molecular FormulaC7H10O7
Average Mass206.1501
Monoisotopic Mass206.042652674
IUPAC Name(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid
Traditional Name(-)-homoisocitric acid
CAS Registry NumberNot Available
SMILES
O[C@H]([C@H](CCC(O)=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)/t3-,5+/m0/s1
InChI KeyOEJZZCGRGVFWHK-WVZVXSGGSA-N