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

ChEBI IDCHEBI:50948
ChEBI Name(2S,3S)-2-methylcitric acid
Stars
ASCII Name(2S,3S)-2-methylcitric acid
DefinitionThe (2S,3S)-diastereomer of 2-methylcitric acid.
Last Modified5 July 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H10O7
Net Charge0
Average Mass206.150
Monoisotopic Mass206.04265
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)/t3-,7+/m1/s1
InChIKeyYNOXCRMFGMSKIJ-NFNCENRGSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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 NumbersSources
Beilstein:2332363Beilstein