CHEBI:68499 - 3-methylcrotonyl glycine

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ChEBI Name 3-methylcrotonyl glycine
ChEBI ID CHEBI:68499
Definition An N-acylglycine in which the acyl group is specified as 3-methylbut-2-enoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H11NO3
Net Charge 0
Average Mass 157.16710
Monoisotopic Mass 157.07389
InChI InChI=1S/C7H11NO3/c1-5(2)3-6(9)8-4-7(10)11/h3H,4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey PFWQSHXPNKRLIV-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): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-Methylcrotonylglycine ChemIDplus
Manual Xref Database
HMDB0000459 HMDB
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Registry Numbers Types Sources
2079882 Reaxys Registry Number Reaxys
33008-07-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
12 March 2018