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CHEBI:73018 - tiglylglycine

ChEBI IDCHEBI:73018
ChEBI Nametiglylglycine
Stars
DefinitionAn N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC7H11NO3
Net Charge0
Average Mass157.169
Monoisotopic Mass157.07389
SMILESC/C=C(\C)C(=O)NCC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+
InChIKeyWRUSVQOKJIDBLP-HWKANZROSA-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)
tiglylglycine (CHEBI:73018) has functional parent glycine (CHEBI:15428)
tiglylglycine (CHEBI:73018) has role metabolite (CHEBI:25212)
tiglylglycine (CHEBI:73018) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
N-[(2E)-2-methylbut-2-enoyl]glycine
Synonym  Source
N-TiglylglycineHMDB
Manual XrefsDatabases
HMDB0000959HMDB
Registry NumbersSources
Reaxys:2206218Reaxys
CAS:35842-45-6ChemIDplus