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CHEBI:232335 - N1,N5,N10-tri-((E)-5-hydroxyferuloyl)-spermidine

ChEBI IDCHEBI:232335
ChEBI NameN1,N5,N10-tri-((E)-5-hydroxyferuloyl)-spermidine
Stars
ASCII NameN(1),N(5),N(10)-tri-((E)-5-hydroxyferuloyl)-spermidine
DefinitionA N1,N5,N10-tri-(5-hydroxyferuloyl)-spermidine in which the three double bonds adopt trans-configuration.
Last Modified23 October 2024
SubmitterAdnan
DownloadsMolfile
FormulaC37H43N3O12
Net Charge0
Average Mass721.760
Monoisotopic Mass721.28467
SMILESCOc1cc(/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2cc(O)c(O)c(OC)c2)C(=O)/C=C/c2cc(O)c(O)c(OC)c2)cc(O)c1O
InChIInChI=1S/C37H43N3O12/c1-50-29-20-23(17-26(41)35(29)47)7-10-32(44)38-13-4-5-15-40(34(46)12-9-25-19-28(43)37(49)31(22-25)52-3)16-6-14-39-33(45)11-8-24-18-27(42)36(48)30(21-24)51-2/h7-12,17-22,41-43,47-49H,4-6,13-16H2,1-3H3,(H,38,44)(H,39,45)/b10-7+,11-8+,12-9+
InChIKeyYVLXSHWZFBDIEL-SRDSWEMOSA-N
ChEBI Ontology
Outgoing Relation(s)
N1,N5,N10-tri-((E)-5-hydroxyferuloyl)-spermidine (CHEBI:232335) has functional parent (E)-5-hydroxyferulic acid (CHEBI:2069)
N1,N5,N10-tri-((E)-5-hydroxyferuloyl)-spermidine (CHEBI:232335) is a N1,N5,N10-tri-(5-hydroxyferuloyl)-spermidine (CHEBI:81480)
IUPAC Name 
(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)-N-(4-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide
UniProt Name  Source
N1,N5,N10-tris[(E)-5-hydroxyferuloyl]spermidineUniProt
Manual XrefsDatabases
CPD-11667MetaCyc
Citations