CHEBI:50948 - (2S,3S)-2-methylcitric acid

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ChEBI Name (2S,3S)-2-methylcitric acid ChEBI ID CHEBI:50948 ChEBI ASCII Name (2S,3S)-2-methylcitric acid Definition The (2S,3S)-diastereomer of 2-methylcitric acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information 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)/t3-,7+/m1/s1 InChIKey YNOXCRMFGMSKIJ-NFNCENRGSA-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 (2S,3S)-2-methylcitric acid (CHEBI:50948) is a 2-methylcitric acid (CHEBI:30835) (2S,3S)-2-methylcitric acid (CHEBI:50948) is conjugate acid of (2S,3S)-2-methylcitrate(3−) (CHEBI:58853) Incoming (2S,3S)-2-methylcitrate(3−) (CHEBI:58853) is conjugate base of (2S,3S)-2-methylcitric acid (CHEBI:50948) IUPAC Names (2S,3S)-2-hydroxybutane-1,2,3-tricarboxylic acid 3-C-carboxy-2,4-dideoxy-4-methyl-D-erythro-pentaric acid Registry Number Type Source 2332363 Beilstein Registry Number Beilstein Last Modified 05 July 2010