CHEBI:87160 - 3,4-dimethylindole-2-carboxylate

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ChEBI Name 3,4-dimethylindole-2-carboxylate ChEBI ID CHEBI:87160 Definition A monocarboxylic acid anion that is the conjugate base of 3,4-dimethylindole-2-carboxylic acid, obtained by deprotonation of the carboxy group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday 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 C11H10NO2 Net Charge -1 Average Mass 188.20310 Monoisotopic Mass 188.07170 InChI InChI=1S/C11H11NO2/c1-6-4-3-5-8-9(6)7(2)10(12-8)11(13)14/h3-5,12H,1-2H3,(H,13,14)/p-1 InChIKey AYWHJTCRGGXKSW-UHFFFAOYSA-M SMILES Cc1c([nH]c2cccc(C)c12)C([O-])=O ChEBI Ontology Outgoing 3,4-dimethylindole-2-carboxylate (CHEBI:87160) is a monocarboxylic acid anion (CHEBI:35757) 3,4-dimethylindole-2-carboxylate (CHEBI:87160) is conjugate base of 3,4-dimethylindole-2-carboxylic acid (CHEBI:87459) Incoming 3,4-dimethylindole-2-carboxylic acid (CHEBI:87459) is conjugate acid of 3,4-dimethylindole-2-carboxylate (CHEBI:87160) IUPAC Name 3,4-dimethyl-1H-indole-2-carboxylate Synonym Source 3,4-dimethyl-2-indolate ChEBI Citations Types Sources 19678698 PubMed citation SUBMITTER 20473441 PubMed citation SUBMITTER 21107653 PubMed citation SUBMITTER Last Modified 12 August 2015