CHEBI:133611 - N-isovalerylglycinate

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ChEBI Name N-isovalerylglycinate ChEBI ID CHEBI:133611 ChEBI ASCII Name N-isovalerylglycinate Definition A monocarboxylic acid anion that is the conjugate base of N-isovalerylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB0338057, eMolecules:29370059, ZINC000169676920 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H12NO3 Net Charge -1 Average Mass 158.175 Monoisotopic Mass 158.08227 InChI InChI=1S/C7H13NO3/c1-5(2)3-6(9)8-4-7(10)11/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/p-1 InChIKey ZRQXMKMBBMNNQC-UHFFFAOYSA-M SMILES C(CNC(=O)CC(C)C)(=O)[O-] Roles Classification Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing N-isovalerylglycinate (CHEBI:133611) has role human urinary metabolite (CHEBI:84087) N-isovalerylglycinate (CHEBI:133611) is a N-acylglycinate (CHEBI:57670) N-isovalerylglycinate (CHEBI:133611) is a monocarboxylic acid anion (CHEBI:35757) N-isovalerylglycinate (CHEBI:133611) is conjugate base of N-isovalerylglycine (CHEBI:70984) Incoming N-isovalerylglycine (CHEBI:70984) is conjugate acid of N-isovalerylglycinate (CHEBI:133611) IUPAC Name (3-methylbutanamido)acetate Synonyms Sources isopentanoylglycinate ChEBI isovalerylglycinate ChEBI N-(3-methylbutanoyl)glycinate IUPAC N-isopentanoylglycinate ChEBI Last Modified 12 October 2016