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CHEBI:68499 - 3-methylcrotonyl glycine

ChEBI IDCHEBI:68499
ChEBI Name3-methylcrotonyl glycine
Stars
DefinitionAn N-acylglycine in which the acyl group is specified as 3-methylbut-2-enoyl.
Last Modified12 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC7H11NO3
Net Charge0
Average Mass157.169
Monoisotopic Mass157.07389
SMILESCC(C)=CC(=O)NCC(=O)O
InChIInChI=1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyPFWQSHXPNKRLIV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-methylcrotonyl glycine (CHEBI:68499) has functional parent 3-methylbut-2-enoic acid (CHEBI:37127)
3-methylcrotonyl glycine (CHEBI:68499) has functional parent glycine (CHEBI:15428)
3-methylcrotonyl glycine (CHEBI:68499) has role metabolite (CHEBI:25212)
3-methylcrotonyl glycine (CHEBI:68499) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
N-(3-methylbut-2-enoyl)glycine
Synonym  Source
β-MethylcrotonylglycineChemIDplus
Manual XrefsDatabases
HMDB0000459HMDB
Registry NumbersSources
Reaxys:2079882Reaxys
CAS:33008-07-0ChemIDplus
Citations