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CHEBI:60542 - benzylpenilloaldehyde

ChEBI IDCHEBI:60542
ChEBI Namebenzylpenilloaldehyde
Stars
DefinitionDegradation product of benzylpenicillin in which the thiolamino acid penicillamine and carbon dioxide from the labile carboxyl group have been lost, leaving a phenylacetylamino-acetaldehyde.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC10H11NO2
Net Charge0
Average Mass177.203
Monoisotopic Mass177.07898
SMILES[H]C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C10H11NO2/c12-7-6-11-10(13)8-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,11,13)
InChIKeyZBDOVHVJWVWSPQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
benzylpenilloaldehyde (CHEBI:60542) has functional parent acetaldehyde (CHEBI:15343)
benzylpenilloaldehyde (CHEBI:60542) has functional parent phenylacetic acid (CHEBI:30745)
benzylpenilloaldehyde (CHEBI:60542) has role allergen (CHEBI:50904)
benzylpenilloaldehyde (CHEBI:60542) is a amino aldehyde (CHEBI:22492)
IUPAC Name 
N-(2-oxoethyl)-2-phenylacetamide
Synonyms  Source
penilloaldehydeChEBI
phenylacetylaminoacetaldehydeChEBI
penicilloaldehydeChEBI
G-penicilloaldehydeChEBI
benzylpenicilloaldehydeChEBI
G-penilloaldehydeChEBI
Citations