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CHEBI:133611 - N-isovalerylglycinate

ChEBI IDCHEBI:133611
ChEBI NameN-isovalerylglycinate
Stars
ASCII NameN-isovalerylglycinate
DefinitionA monocarboxylic acid anion that is the conjugate base of N-isovalerylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 October 2016
Submitterjjtluanloet
DownloadsMolfile
FormulaC7H12NO3
Net Charge-1
Average Mass158.177
Monoisotopic Mass158.08227
SMILESCC(C)CC(=O)NCC(=O)[O-]
InChIInChI=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
InChIKeyZRQXMKMBBMNNQC-UHFFFAOYSA-M
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
N-isovalerylglycine (CHEBI:70984) is conjugate acid of N-isovalerylglycinate (CHEBI:133611)
IUPAC Name 
(3-methylbutanamido)acetate
Synonyms  Source
N-(3-methylbutanoyl)glycinateIUPAC
N-isopentanoylglycinateChEBI
isovalerylglycinateChEBI
isopentanoylglycinateChEBI