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CHEBI:232324 - N1,N5,N10-tris-(E)-caffeoyl spermidine

ChEBI IDCHEBI:232324
ChEBI NameN1,N5,N10-tris-(E)-caffeoyl spermidine
Stars
ASCII NameN(1),N(5),N(10)-tris-(E)-caffeoyl spermidine
DefinitionA N1,N5,N10-tricaffeoyl spermidine in which the three double bonds adopt trans-configuration.
Last Modified23 October 2024
SubmitterAdnan
DownloadsMolfile
FormulaC34H37N3O9
Net Charge0
Average Mass631.682
Monoisotopic Mass631.25298
SMILESO=C(/C=C/c1ccc(O)c(O)c1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C34H37N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-15,20-22,38-43H,1-3,16-19H2,(H,35,44)(H,36,45)/b13-7+,14-8+,15-9+
InChIKeyZKNHGZHOGBDPIA-ZOWBABNGSA-N
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,N5,N10-tris-(E)-caffeoyl spermidine (CHEBI:232324) has functional parent trans-caffeic acid (CHEBI:16433)
N1,N5,N10-tris-(E)-caffeoyl spermidine (CHEBI:232324) is a N1,N5,N10-tricaffeoyl spermidine (CHEBI:81478)
IUPAC Name 
(2E)-3-(3,4-dihydroxyphenyl)-N-(4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
UniProt Name  Source
N1,N5,N10-tris[(E)-caffeoyl]spermidineUniProt