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CHEBI:30835 - 2-methylcitric acid

ChEBI IDCHEBI:30835
ChEBI Name2-methylcitric acid
Stars
Secondary ChEBI IDsCHEBI:1203, CHEBI:19696
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC7H10O7
Net Charge0
Average Mass206.150
Monoisotopic Mass206.04265
SMILESCC(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)
InChIKeyYNOXCRMFGMSKIJ-UHFFFAOYSA-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)
2-methylcitric acid (CHEBI:30835) has functional parent citric acid (CHEBI:30769)
2-methylcitric acid (CHEBI:30835) is a tricarboxylic acid (CHEBI:27093)
2-methylcitric acid (CHEBI:30835) is conjugate acid of 2-methylcitrate(3−) (CHEBI:15598)
Incoming Relation(s)
(2R,3S)-2-methylcitric acid (CHEBI:30836) is a 2-methylcitric acid (CHEBI:30835)
(2S,3S)-2-methylcitric acid (CHEBI:50948) is a 2-methylcitric acid (CHEBI:30835)
2-methylcitrate(3−) (CHEBI:15598) is conjugate base of 2-methylcitric acid (CHEBI:30835)
IUPAC Names 
2-hydroxybutane-1,2,3-tricarboxylic acid
3-C-carboxy-2,4-dideoxy-2-methylpentaric acid
Synonym  Source
2-hydroxy-1,2,3-butanetricarboxylic acidChemIDplus
Registry NumbersSources
Beilstein:1794854Beilstein
CAS:6061-96-7ChemIDplus