CHEBI:17417 - N-caffeoylputrescine

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ChEBI Name N-caffeoylputrescine
ChEBI ID CHEBI:17417
ChEBI ASCII Name N-caffeoylputrescine
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7254, CHEBI:21684, CHEBI:12494
Supplier Information
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Formula C13H18N2O3
Net Charge 0
Average Mass 250.29370
Monoisotopic Mass 250.13174
InChI InChI=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+
InChIKey KTZNZCYTXQYEHT-GQCTYLIASA-N
SMILES NCCCCNC(=O)\C=C\c1ccc(O)c(O)c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)acrylamide ChEBI
N-Caffeoylputrescine KEGG COMPOUND
Manual Xref Database
C00002719 KNApSAcK
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Last Modified
28 July 2014