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CHEBI:85300 - N1,N8-bis(sinapoyl)-spermidine

ChEBI IDCHEBI:85300
ChEBI NameN1,N8-bis(sinapoyl)-spermidine
Stars
ASCII NameN(1),N(8)-bis(sinapoyl)-spermidine
DefinitionA secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-sinapic acid.
Last Modified7 March 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H39N3O8
Net Charge0
Average Mass557.644
Monoisotopic Mass557.27372
SMILESCOc1cc(/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O
InChIInChI=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)/b10-8+,11-9+
InChIKeyPMOOGLRNGWRADJ-GFULKKFKSA-N
Species of MetaboliteComponentSourceComments
Hippeastrum (ncbitaxon:4695) pollen (BTO:0001097) DOI (10.1002/(SICI)1522-2675(19980909)81:9<1654::AID-HLCA1654>3.0.CO;2-T)
Arabidopsis (ncbitaxon:3701) seed (BTO:0001226) PubMed (19168716)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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 (CHEBI:85300) has functional parent trans-sinapic acid (CHEBI:15714)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) has functional parent spermidine (CHEBI:16610)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) has role plant metabolite (CHEBI:76924)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) is a aromatic ether (CHEBI:35618)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) is a enamide (CHEBI:51751)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) is a polyphenol (CHEBI:26195)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) is a secondary amino compound (CHEBI:50995)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) is a secondary carboxamide (CHEBI:140325)
N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300) is conjugate base of N1,N8-bis(sinapoyl)-spermidine(1+) (CHEBI:85006)
Incoming Relation(s)
N1,N8-bis(sinapoyl)-spermidine(1+) (CHEBI:85006) is conjugate acid of N1,N8-bis(sinapoyl)-spermidine (CHEBI:85300)
Registry NumbersSources
Reaxys:8095708Reaxys
Citations