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CHEBI:15598 - 2-methylcitrate(3−)

ChEBI IDCHEBI:15598
ChEBI Name2-methylcitrate(3−)
Stars
ASCII Name2-methylcitrate(3-)
DefinitionA tricarboxylic acid trianion that is the conjugate base of 2-methylcitric acid.
Secondary ChEBI IDsCHEBI:11592, CHEBI:11618, CHEBI:19630, CHEBI:19695
Last Modified24 August 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC7H7O7
Net Charge-3
Average Mass203.126
Monoisotopic Mass203.02082
SMILESCC(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
InChIKeyYNOXCRMFGMSKIJ-UHFFFAOYSA-K
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-methylcitrate(3−) (CHEBI:15598) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-methylcitrate(3−) (CHEBI:15598) has role human metabolite (CHEBI:77746)
2-methylcitrate(3−) (CHEBI:15598) is a tricarboxylic acid trianion (CHEBI:27092)
2-methylcitrate(3−) (CHEBI:15598) is conjugate base of 2-methylcitric acid (CHEBI:30835)
Incoming Relation(s)
(2R,3S)-2-methylcitrate(3−) (CHEBI:10860) is a 2-methylcitrate(3−) (CHEBI:15598)
2-methylcitric acid (CHEBI:30835) is conjugate acid of 2-methylcitrate(3−) (CHEBI:15598)
IUPAC Name 
2-hydroxybutane-1,2,3-tricarboxylate
Synonyms  Source
2-Hydroxybutane-1,2,3-tricarboxylateKEGG COMPOUND
2-MethylcitrateKEGG COMPOUND
UniProt Name  Source
2-methylcitrateUniProt
Manual XrefsDatabases
C02225KEGG COMPOUND