N(1),N(8)-bis(sinapoyl)-spermidine(1+) (CHEBI:85006)

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CHEBI:85006 - N¹,N⁸-bis(sinapoyl)-spermidine(1+)

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ChEBI ID	CHEBI:85006
ChEBI Name	N¹,N⁸-bis(sinapoyl)-spermidine(1+)
Stars
ASCII Name	N(1),N(8)-bis(sinapoyl)-spermidine(1+)
Definition	An ammonium ion resulting from the protonation of the non-acylated nitrogen of N¹,N⁸-bis(sinapoyl)-spermidine. The major species at pH 7.3.
Last Modified	8 July 2020
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C29H40N3O8
Net Charge	+1
Average Mass	558.652
Monoisotopic Mass	558.28099
SMILES	COc1cc(/C=C/C(=O)NCCCC[NH2+]CCCNC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChI	InChI=1S/C29H39N3O8/c1-37-22-16-20(17-23(38-2)28(22)35)8-10-26(33)31-14-6-5-12-30-13-7-15-32-27(34)11-9-21-18-24(39-3)29(36)25(19-21)40-4/h8-11,16-19,30,35-36H,5-7,12-15H2,1-4H3,(H,31,33)(H,32,34)/p+1/b10-8+,11-9+
InChIKey	PMOOGLRNGWRADJ-GFULKKFKSA-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(sinapoyl)-spermidine(1+) (CHEBI:85006) has role plant metabolite (CHEBI:76924)
	N¹,N⁸-bis(sinapoyl)-spermidine(1+) (CHEBI:85006) is a ammonium ion derivative (CHEBI:35274)
	N¹,N⁸-bis(sinapoyl)-spermidine(1+) (CHEBI:85006) is conjugate acid of N¹,N⁸-bis(sinapoyl)-spermidine (CHEBI:85300)
Incoming Relation(s)
	N¹,N⁸-bis(sinapoyl)-spermidine (CHEBI:85300) is conjugate base of N¹,N⁸-bis(sinapoyl)-spermidine(1+) (CHEBI:85006)

UniProt Name	Source
N¹,N⁸-bis[(E)-sinapoyl]-spermidine	UniProt

Citations