EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:10860 - (2R,3S)-2-methylcitrate(3−)

ChEBI IDCHEBI:10860
ChEBI Name(2R,3S)-2-methylcitrate(3−)
Stars
ASCII Name(2R,3S)-2-methylcitrate(3-)
Last Modified12 March 2015
DownloadsMolfile
FormulaC7H7O7
Net Charge-3
Average Mass203.126
Monoisotopic Mass203.02082
SMILESC[C@H](C(=O)[O-])[C@](O)(CC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-3/t3-,7-/m1/s1
InChIKeyYNOXCRMFGMSKIJ-WVBDSBKLSA-K
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-methylcitrate(3−) (CHEBI:10860) is a 2-methylcitrate(3−) (CHEBI:15598)
(2R,3S)-2-methylcitrate(3−) (CHEBI:10860) is conjugate base of (2R,3S)-2-methylcitric acid (CHEBI:30836)
Incoming Relation(s)
(2R,3S)-2-methylcitric acid (CHEBI:30836) is conjugate acid of (2R,3S)-2-methylcitrate(3−) (CHEBI:10860)
IUPAC Name 
(2R,3S)-2-hydroxybutane-1,2,3-tricarboxylate
Synonym  Source
(2R, 3S)-2-Hydroxybutane-1,2,3-tricarboxylateKEGG COMPOUND
Manual XrefsDatabases
C02225KEGG COMPOUND