CHEBI:58853 - (2S,3S)-2-methylcitrate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S)-2-methylcitrate(3−)
ChEBI ID CHEBI:58853
ChEBI ASCII Name (2S,3S)-2-methylcitrate(3-)
Definition Trianion arising from deprotonation of all three carboxylic acid groups of (2S,3S)-2-methylcitric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H7O7
Net Charge -3
Average Mass 203.12630
Monoisotopic Mass 203.019
InChI InChI=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
InChIKey YNOXCRMFGMSKIJ-NFNCENRGSA-K
SMILES C[C@H](C([O-])=O)[C@@](O)(CC([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing (2S,3S)-2-methylcitrate(3−) (CHEBI:58853) is a tricarboxylic acid trianion (CHEBI:27092)
(2S,3S)-2-methylcitrate(3−) (CHEBI:58853) is conjugate base of (2S,3S)-2-methylcitric acid (CHEBI:50948)
Incoming (2S,3S)-2-methylcitric acid (CHEBI:50948) is conjugate acid of (2S,3S)-2-methylcitrate(3−) (CHEBI:58853)
IUPAC Names
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylate
3-C-carboxylato-2,4-dideoxy-4-methyl-D-erythro-pentarate
Synonyms Sources
(1S,2S)-2-hydroxy-1-methylpropane-1,2,3-tricarboxylate ChEBI
(2S,3S)-2-methylcitrate UniProt
Last Modified
24 February 2015