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CHEBI:17417 - N-caffeoylputrescine

ChEBI IDCHEBI:17417
ChEBI NameN-caffeoylputrescine
Stars
ASCII NameN-caffeoylputrescine
Secondary ChEBI IDsCHEBI:7254, CHEBI:12494, CHEBI:21684
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H18N2O3
Net Charge0
Average Mass250.298
Monoisotopic Mass250.13174
SMILESNCCCCNC(=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)/b6-4+
InChIKeyKTZNZCYTXQYEHT-GQCTYLIASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-caffeoylputrescine (CHEBI:17417) is a N-substituted putrescine (CHEBI:26406)
N-caffeoylputrescine (CHEBI:17417) is conjugate base of N-caffeoylputrescinium(1+) (CHEBI:58138)
Incoming Relation(s)
N-caffeoylputrescine glycoside (CHEBI:142426) has functional parent N-caffeoylputrescine (CHEBI:17417)
N-caffeoylputrescinium(1+) (CHEBI:58138) is conjugate acid of N-caffeoylputrescine (CHEBI:17417)
IUPAC Name 
(2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
Synonyms  Source
N-CaffeoylputrescineKEGG COMPOUND
(2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)acrylamideChEBI
Manual XrefsDatabases
C00002719KNApSAcK