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CHEBI:86080 - (E)-p-coumaroylagmatine

ChEBI IDCHEBI:86080
ChEBI Name(E)-p-coumaroylagmatine
Stars
ASCII Name(E)-p-coumaroylagmatine
DefinitionA p-coumaroylagmatine(1+) in which the double bond of the coumaroyl component has E-geochemistry.
Last Modified18 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H20N4O2
Net Charge0
Average Mass276.340
Monoisotopic Mass276.15863
SMILESN=C(N)NCCCCNC(=O)/C=C/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)/b8-5+
InChIKeyAKIHYQWCLCDMMI-VMPITWQZSA-N
ChEBI Ontology
Outgoing Relation(s)
(E)-p-coumaroylagmatine (CHEBI:86080) has functional parent trans-4-coumaric acid (CHEBI:32374)
(E)-p-coumaroylagmatine (CHEBI:86080) is a p-coumaroylagmatine (CHEBI:32818)
(E)-p-coumaroylagmatine (CHEBI:86080) is conjugate base of (E)-p-coumaroylagmatine(1+) (CHEBI:86078)
Incoming Relation(s)
(E)-p-coumaroylagmatine(1+) (CHEBI:86078) is conjugate acid of (E)-p-coumaroylagmatine (CHEBI:86080)
IUPAC Name 
(2E)-N-[4-(carbamimidamido)butyl]-3-(4-hydroxyphenyl)prop-2-enamide
Synonyms  Source
1-(trans-4'-hydroxycinnamoylamino)-4-guanidinobutaneChEBI
(E)-coumaroylagmatineChEBI
(E)-N-(4-guanidinobutyl)-4-hydroxycinnamamideChEBI
trans-coumaroylagmatineChEBI
trans-p-coumaroylagmatineChEBI
Registry NumbersSources
Reaxys:6893419Reaxys