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CHEBI:59968 - 1-(5-carboxypentyl)pyrraline

ChEBI IDCHEBI:59968
ChEBI Name1-(5-carboxypentyl)pyrraline
Stars
DefinitionA pyrrole formed via Maillard reaction of ε-aminocaproic acid with glucose.
Last Modified23 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC12H17NO4
Net Charge0
Average Mass239.271
Monoisotopic Mass239.11576
SMILESO=Cc1ccc(CO)n1CCCCCC(=O)O
InChIInChI=1S/C12H17NO4/c14-8-10-5-6-11(9-15)13(10)7-3-1-2-4-12(16)17/h5-6,8,15H,1-4,7,9H2,(H,16,17)
InChIKeyFLGAHUVWKPWJPY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
1-(5-carboxypentyl)pyrraline (CHEBI:59968) is a N-substituted pyrraline (CHEBI:131546)
1-(5-carboxypentyl)pyrraline (CHEBI:59968) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
6-[2-formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]hexanoic acid
Synonyms  Source
6-hydroxy-6-oxohexylpyrralineChEBI
ε-carboxypentylpyrralineChEBI
6-(2-formyl-5-hydroxymethyl-pyrrol-1-yl)-caproic acidChEBI
carboxypentyl pyrralineChEBI
caproyl pyrralineChEBI
ε-caproyl-pyrralineChEBI
Registry NumbersSources
Reaxys:8148551Reaxys
Citations