N(1),N(5),N(10)-tris-(E)-feruloyl spermidine (CHEBI:232326)

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CHEBI:232326 - N¹,N⁵,N¹⁰-tris-(E)-feruloyl spermidine

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ChEBI ID	CHEBI:232326
ChEBI Name	N¹,N⁵,N¹⁰-tris-(E)-feruloyl spermidine
Stars
ASCII Name	N(1),N(5),N(10)-tris-(E)-feruloyl spermidine
Definition	A N¹,N⁵,N¹⁰-triferuloyl spermidine in which the three double bonds adopt trans-configuration.
Last Modified	23 October 2024
Submitter	Adnan
Downloads	Molfile

Formula	C37H43N3O9
Net Charge	0
Average Mass	673.763
Monoisotopic Mass	673.29993
SMILES	COc1cc(/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChI	InChI=1S/C37H43N3O9/c1-47-32-23-26(7-13-29(32)41)10-16-35(44)38-19-4-5-21-40(37(46)18-12-28-9-15-31(43)34(25-28)49-3)22-6-20-39-36(45)17-11-27-8-14-30(42)33(24-27)48-2/h7-18,23-25,41-43H,4-6,19-22H2,1-3H3,(H,38,44)(H,39,45)/b16-10+,17-11+,18-12+
InChIKey	KMJWIBDYGUTEFB-WLJYFSRTSA-N

ChEBI Ontology

Outgoing Relation(s)
	N¹,N⁵,N¹⁰-tris-(E)-feruloyl spermidine (CHEBI:232326) has functional parent trans-ferulic acid (CHEBI:17620)
	N¹,N⁵,N¹⁰-tris-(E)-feruloyl spermidine (CHEBI:232326) is a N¹,N⁵,N¹⁰-triferuloyl spermidine (CHEBI:81479)

IUPAC Name
(2E)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}butyl)-N-(3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}propyl)prop-2-enamide

UniProt Name	Source
N¹,N⁵,N¹⁰-tris[(E)-feruloyl]spermidine	UniProt

Manual Xrefs	Databases
CPD-12214	MetaCyc

Citations