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CHEBI:86078 - (E)-p-coumaroylagmatine(1+)

ChEBI IDCHEBI:86078
ChEBI Name(E)-p-coumaroylagmatine(1+)
Stars
ASCII Name(E)-p-coumaroylagmatine(1+)
DefinitionA p-coumaroylagmatine(1+) in which the double bond of the coumaroyl component has E-geochemistry.
Last Modified18 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H21N4O2
Net Charge+1
Average Mass277.348
Monoisotopic Mass277.16590
SMILESNC(=[NH2+])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)/p+1/b8-5+
InChIKeyAKIHYQWCLCDMMI-VMPITWQZSA-O
ChEBI Ontology
Outgoing Relation(s)
(E)-p-coumaroylagmatine(1+) (CHEBI:86078) is a p-coumaroylagmatine(1+) (CHEBI:58644)
(E)-p-coumaroylagmatine(1+) (CHEBI:86078) is conjugate acid of (E)-p-coumaroylagmatine (CHEBI:86080)
Incoming Relation(s)
(E)-p-coumaroylagmatine (CHEBI:86080) is conjugate base of (E)-p-coumaroylagmatine(1+) (CHEBI:86078)
IUPAC Name 
[(4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}butyl)amino](imino)methanaminium
Synonyms  Source
(E)-coumaroylagmatine(1+)ChEBI
(E)-N-(4-guanidinobutyl)-4-hydroxycinnamamide(1+)ChEBI
trans-coumaroylagmatine(1+)ChEBI
trans-p-coumaroylagmatine(1+)ChEBI