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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3S)-2-methylcitric acid
ChEBI ID CHEBI:30836
ChEBI ASCII Name (2R,3S)-2-methylcitric acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
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-WVBDSBKLSA-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 (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
Synonym Source
(2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate KEGG COMPOUND
Database Link Database
C02225 KEGG COMPOUND
View more database links
Registry Number Type Source
2332362 Beilstein Registry Number Beilstein
Last Modified
28 July 2014