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CHEBI:85007 - N1,N8-bis(coumaroyl)spermidine(1+)

ChEBI IDCHEBI:85007
ChEBI NameN1,N8-bis(coumaroyl)spermidine(1+)
Stars
ASCII NameN(1),N(8)-bis(coumaroyl)spermidine(1+)
DefinitionAn ammonium ion resulting from the protonation of the non-acylated nitrogen of N1,N8-bis(coumaroyl)-spermidine. The major species at pH 7.3.
Last Modified22 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H32N3O4
Net Charge+1
Average Mass438.548
Monoisotopic Mass438.23873
SMILESO=C(/C=C/c1ccc(O)cc1)NCCCC[NH2+]CCCNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/p+1/b14-8+,15-9+
InChIKeyQYBCBMVQSCJMSA-VOMDNODZSA-O
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
N1,N8-bis(coumaroyl)spermidine(1+) (CHEBI:85007) has role plant metabolite (CHEBI:76924)
N1,N8-bis(coumaroyl)spermidine(1+) (CHEBI:85007) is a ammonium ion derivative (CHEBI:35274)
N1,N8-bis(coumaroyl)spermidine(1+) (CHEBI:85007) is a organic cation (CHEBI:25697)
N1,N8-bis(coumaroyl)spermidine(1+) (CHEBI:85007) is conjugate acid of N1,N8-bis(coumaroyl)spermidine (CHEBI:85530)
Incoming Relation(s)
N1,N8-bis(coumaroyl)spermidine (CHEBI:85530) is conjugate base of N1,N8-bis(coumaroyl)spermidine(1+) (CHEBI:85007)
IUPAC Name 
4-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}-N-(3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino}propyl)butan-1-aminium
UniProt Name  Source
N1,N8-bis(coumaroyl)-spermidineUniProt
Citations