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 No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H10O7 Net Charge 0 Average Mass 206.15010 Monoisotopic Mass 206.04265 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