3-methylcrotonyl glycine (CHEBI:68499)

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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	eMolecules:10537860, ZINC000005158496

Download	Molfile XML SDF

Formula

C7H11NO3

Net Charge

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.

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

Citation

Last Modified

12 March 2018