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

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ChEBI Name N1,N8-bis(coumaroyl)spermidine(1+)
ChEBI ID CHEBI:85007
ChEBI ASCII Name N(1),N(8)-bis(coumaroyl)spermidine(1+)
Definition An ammonium ion resulting from the protonation of the non-acylated nitrogen of N1,N8-bis(coumaroyl)-spermidine. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C25H32N3O4
Net Charge +1
Average Mass 438.53870
Monoisotopic Mass 438.23873
InChI InChI=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+
InChIKey QYBCBMVQSCJMSA-VOMDNODZSA-O
SMILES Oc1ccc(\C=C\C(=O)NCCCC[NH2+]CCCNC(=O)\C=C\c2ccc(O)cc2)cc1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 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
Synonym Source
N1,N8-bis(coumaroyl)-spermidine UniProt
Citation Waiting for Citations Type Source
19168716 PubMed citation SUBMITTER
Last Modified
22 April 2015