CHEBI:70984 - N-isovalerylglycine

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ChEBI Name N-isovalerylglycine ChEBI ID CHEBI:70984 ChEBI ASCII Name N-isovalerylglycine Definition An N-acylglycine in which the acyl group is specified as isovaleryl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000059211766 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H13NO3 Net Charge 0 Average Mass 159.18300 Monoisotopic Mass 159.08954 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) InChIKey ZRQXMKMBBMNNQC-UHFFFAOYSA-N SMILES CC(C)CC(=O)NCC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) 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-isovalerylglycine (CHEBI:70984) has role human urinary metabolite (CHEBI:84087) N-isovalerylglycine (CHEBI:70984) is a N-acylglycine (CHEBI:16180) N-isovalerylglycine (CHEBI:70984) is conjugate acid of N-isovalerylglycinate (CHEBI:133611) Incoming N-isovalerylglycinate (CHEBI:133611) is conjugate base of N-isovalerylglycine (CHEBI:70984) IUPAC Names [(3-methylbutanoyl)amino]acetic acid N-(3-methylbutanoyl)glycine Synonyms Sources 2-(3-Methylbutanoylamino)ethanoic acid HMDB isopentanoylglycine ChEBI isovalerylglycine ChEBI N-isopentanoylglycine ChEBI N-Isovaleroylglycine HMDB Manual Xref Database HMDB0000678 HMDB View more database links Registry Number Type Source 1766622 Reaxys Registry Number Reaxys Citations Last Modified 12 October 2016