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CHEBI:136917 - N-isovalerylsarcosine

ChEBI IDCHEBI:136917
ChEBI NameN-isovalerylsarcosine
Stars
ASCII NameN-isovalerylsarcosine
DefinitionAn N-acyl-amino acid resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of sarcosine.
Last Modified16 April 2018
SubmitterKeeva
DownloadsMolfile
FormulaC8H15NO3
Net Charge0
Average Mass173.212
Monoisotopic Mass173.10519
SMILESCC(C)CC(=O)N(C)CC(=O)O
InChIInChI=1S/C8H15NO3/c1-6(2)4-7(10)9(3)5-8(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyGPFSWCRCPHKNBU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood serum (BTO:0000133) MetaboLights (MTBLS97)
blood serum (BTO:0000133) PubMed (25598764)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
N-isovalerylsarcosine (CHEBI:136917) has role human blood serum metabolite (CHEBI:85234)
N-isovalerylsarcosine (CHEBI:136917) is a N-acyl-amino acid (CHEBI:51569)
N-isovalerylsarcosine (CHEBI:136917) is a glycine derivative (CHEBI:24373)
N-isovalerylsarcosine (CHEBI:136917) is a tertiary carboxamide (CHEBI:140326)
IUPAC Name 
N-methyl-N-(3-methylbutanoyl)glycine
Synonyms  Source
N-isopentanoylsarcosineHMDB
N-(3-methylbutanoyl)sarcosineChEBI
isopentanoylsarcosineChEBI
isovalerylsarcosineChEBI
(3-methylbutanoyl)sarcosineChEBI
Manual XrefsDatabases
HMDB0002087HMDB
Registry NumbersSources
CAS:88127-29-1ChemIDplus
Citations