CHEBI:30835 - 2-methylcitric acid

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ChEBI Name 2-methylcitric acid
ChEBI ID CHEBI:30835
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19696, CHEBI:1203
Supplier Information
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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)
InChIKey YNOXCRMFGMSKIJ-UHFFFAOYSA-N
SMILES CC(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 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 (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 acid ChemIDplus
Registry Numbers Types Sources
1794854 Beilstein Registry Number Beilstein
6061-96-7 CAS Registry Number ChemIDplus
Last Modified
23 October 2015