CHEBI:167610 - 3-methylvalerate

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ChEBI Name 3-methylvalerate ChEBI ID CHEBI:167610 Definition A monocarboxylic acid anion that is the conjugate base of 3-methylvaleric acid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT 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 C6H11O2 Net Charge -1 Average Mass 115.153 Monoisotopic Mass 115.07645 InChI InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1 InChIKey IGIDLTISMCAULB-UHFFFAOYSA-M SMILES CCC(C)CC([O-])=O ChEBI Ontology Outgoing 3-methylvalerate (CHEBI:167610) is a branched-chain saturated fatty acid anion (CHEBI:58956) 3-methylvalerate (CHEBI:167610) is a methyl-branched fatty acid anion (CHEBI:67013) 3-methylvalerate (CHEBI:167610) is a monocarboxylic acid anion (CHEBI:35757) 3-methylvalerate (CHEBI:167610) is a short-chain fatty acid anion (CHEBI:58951) 3-methylvalerate (CHEBI:167610) is conjugate base of 3-methylvaleric acid (CHEBI:166883) Incoming 3-methylvaleric acid (CHEBI:166883) is conjugate acid of 3-methylvalerate (CHEBI:167610) IUPAC Name 3-methylpentanoate Synonyms Sources 3-methylpentanoate UniProt 3-methylvalerate SUBMITTER β-methylvalerate ChEBI Citation Type Source 23300257 PubMed citation SUBMITTER Last Modified 12 March 2021