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CHEBI:185736 - (3-Methylcrotonyl)glycine methyl ester

ChEBI IDCHEBI:185736
ChEBI Name(3-Methylcrotonyl)glycine methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H13NO3
Net Charge0
Average Mass171.196
Monoisotopic Mass171.08954
SMILESCOC(=O)CNC(=O)C=C(C)C
InChIInChI=1S/C8H13NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h4H,5H2,1-3H3,(H,9,10)
InChIKeyHQJXTLHTVWAWPO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3-Methylcrotonyl)glycine methyl ester (CHEBI:185736) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 2-(3-methylbut-2-enoylamino)acetate
Manual XrefsDatabases
455081ChemSpider