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CHEBI:58138 - N-caffeoylputrescinium(1+)

ChEBI IDCHEBI:58138
ChEBI NameN-caffeoylputrescinium(1+)
Stars
ASCII NameN-caffeoylputrescinium(1+)
DefinitionThe conjugate acid of N-caffeoylputrescine; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC13H19N2O3
Net Charge+1
Average Mass251.306
Monoisotopic Mass251.13902
SMILES[NH3+]CCCCNC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/p+1/b6-4+
InChIKeyKTZNZCYTXQYEHT-GQCTYLIASA-O
ChEBI Ontology
Outgoing Relation(s)
N-caffeoylputrescinium(1+) (CHEBI:58138) is a ammonium ion derivative (CHEBI:35274)
N-caffeoylputrescinium(1+) (CHEBI:58138) is conjugate acid of N-caffeoylputrescine (CHEBI:17417)
Incoming Relation(s)
N-caffeoylputrescine (CHEBI:17417) is conjugate base of N-caffeoylputrescinium(1+) (CHEBI:58138)
IUPAC Name 
4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butan-1-aminium
Synonym  Source
N-caffeoylputrescinium cationChEBI
UniProt Name  Source
N-caffeoylputrescineUniProt