CHEBI:50948 - (2S,3S)-2-methylcitric acid

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ChEBI Name (2S,3S)-2-methylcitric acid
ChEBI ID CHEBI:50948
ChEBI ASCII Name (2S,3S)-2-methylcitric acid
Definition The (2S,3S)-diastereomer of 2-methylcitric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H10O7
Net Charge 0
Average Mass 206.15010
Monoisotopic Mass 206.043
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)/t3-,7+/m1/s1
InChIKey YNOXCRMFGMSKIJ-NFNCENRGSA-N
SMILES C[C@H](C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2S,3S)-2-methylcitric acid (CHEBI:50948) is a 2-methylcitric acid (CHEBI:30835)
(2S,3S)-2-methylcitric acid (CHEBI:50948) is conjugate acid of (2S,3S)-2-methylcitrate(3−) (CHEBI:58853)
Incoming (2S,3S)-2-methylcitrate(3−) (CHEBI:58853) is conjugate base of (2S,3S)-2-methylcitric acid (CHEBI:50948)
IUPAC Names
(2S,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid
3-C-carboxy-2,4-dideoxy-4-methyl-D-erythro-pentaric acid
Registry Number Type Source
2332363 Beilstein Registry Number Beilstein
Last Modified
05 July 2010