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

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ChEBI Name (2R,3S)-2-methylcitric acid
ChEBI ID CHEBI:30836
ChEBI ASCII Name (2R,3S)-2-methylcitric acid
Last Modified 30 October 2008
Stars This entity has been manually annotated by the ChEBI Team.
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InChI
InChI=1/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/f/h8,10,12H
InChIKey
InChIKey=YNOXCRMFGMSKIJ-OGMIENMIDK
SMILES
C[C@H](C(O)=O)[C@](O)(CC(O)=O)C(O)=O
Formula Source
C7H10O7 KEGG COMPOUND
Charge 0
Mass 206.15010
ChEBI Ontology
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Outgoing (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 (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
Database Link Database
C02225 KEGG COMPOUND
Registry Number Type Source
2332362 Beilstein Registry Number Beilstein

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