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CHEBI:32818 - p-coumaroylagmatine

ChEBI IDCHEBI:32818
ChEBI Namep-coumaroylagmatine
Stars
ASCII Namep-coumaroylagmatine
DefinitionA member of the class of cinnamamides obtained by formal condensation of the carboxy group of 4-coumaric acid with the primary amino group of agmatine.
Secondary ChEBI IDsCHEBI:7089, CHEBI:12430, CHEBI:21469, CHEBI:21470, CHEBI:28605
Last Modified23 August 2024
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H20N4O2
Net Charge0
Average Mass276.340
Monoisotopic Mass276.15863
SMILES[H]C(=CC(=O)NCCCCNC(=N)N)c1ccc(O)cc1
InChIInChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)
InChIKeyAKIHYQWCLCDMMI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
p-coumaroylagmatine (CHEBI:32818) has functional parent 4-coumaric acid (CHEBI:36090)
p-coumaroylagmatine (CHEBI:32818) has functional parent agmatine (CHEBI:17431)
p-coumaroylagmatine (CHEBI:32818) is a cinnamamides (CHEBI:23247)
p-coumaroylagmatine (CHEBI:32818) is a guanidines (CHEBI:24436)
p-coumaroylagmatine (CHEBI:32818) is a phenols (CHEBI:33853)
p-coumaroylagmatine (CHEBI:32818) is conjugate base of p-coumaroylagmatine(1+) (CHEBI:58644)
Incoming Relation(s)
hordatine A (CHEBI:5762) has functional parent p-coumaroylagmatine (CHEBI:32818)
hordatine B (CHEBI:5763) has functional parent p-coumaroylagmatine (CHEBI:32818)
(E)-p-coumaroylagmatine (CHEBI:86080) is a p-coumaroylagmatine (CHEBI:32818)
(Z)-p-coumaroylagmatine (CHEBI:86085) is a p-coumaroylagmatine (CHEBI:32818)
p-coumaroylagmatine(1+) (CHEBI:58644) is conjugate acid of p-coumaroylagmatine (CHEBI:32818)
IUPAC Name 
N-[4-(carbamimidamido)butyl]-3-(4-hydroxyphenyl)prop-2-enamide
Synonyms  Source
coumaroylagmatineChEBI
N-(4-guanidinobutyl)-4-hydroxycinnamamideChEBI
N-(4-guanidinobutyl)-p-hydroxycinnamamideChEBI
N-(4-Guanidinobutyl)-4-hydroxycinnamamideKEGG COMPOUND
N-(4-Guanidinobutyl)-4-hydroxycinnamideKEGG COMPOUND
Manual XrefsDatabases
C04498KEGG COMPOUND
C04498KEGG COMPOUND
HMDB0033460HMDB
N-4-GUANIDINOBUTYL-4-HYDROXYCINNAMAMIDMetaCyc
Registry NumbersSources
Reaxys:2658799Reaxys
CAS:7295-86-5HMDB