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CHEBI:30836 - (2R,3S)-2-methylcitric acid

ChEBI IDCHEBI:30836
ChEBI Name(2R,3S)-2-methylcitric acid
Stars
ASCII Name(2R,3S)-2-methylcitric acid
Last Modified28 July 2014
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-WVBDSBKLSA-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)
(2R,3S)-2-methylcitric acid (CHEBI:30836) is a 2-methylcitric acid (CHEBI:30835)
(2R,3S)-2-methylcitric acid (CHEBI:30836) is conjugate acid of (2R,3S)-2-methylcitrate(3−) (CHEBI:10860)
Incoming Relation(s)
(2R,3S)-2-methylcitrate(3−) (CHEBI:10860) is conjugate base of (2R,3S)-2-methylcitric acid (CHEBI:30836)
IUPAC Names 
(2R,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid
3-C-carboxy-2,4-dideoxy-2-methyl-D-threo-pentaric acid
Synonym  Source
(2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylateKEGG COMPOUND
Manual XrefsDatabases
C02225KEGG COMPOUND
Registry NumbersSources
Beilstein:2332362Beilstein