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

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ChEBI Name N1,N8-bis(sinapoyl)-spermidine(1+)
ChEBI ID CHEBI:85006
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C29H40N3O8
Net Charge +1
Average Mass 558.64270
Monoisotopic Mass 558.28099
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
SMILES COc1cc(\C=C\C(=O)NCCCC[NH2+]CCCNC(=O)\C=C\c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
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(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 N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) is conjugate base of N1,N8-bis(sinapoyl)-spermidine(1+) (CHEBI:85006)
Synonym Source
N1,N8-bis[(E)-sinapoyl]-spermidine UniProt
Citation Waiting for Citations Type Source
19168716 PubMed citation SUBMITTER
Last Modified
08 July 2020