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CHEBI:175286 - Sinapoylspermine

ChEBI IDCHEBI:175286
ChEBI NameSinapoylspermine
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SubmitterMetaboLights
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FormulaC21H36N4O4
Net Charge0
Average Mass408.543
Monoisotopic Mass408.27366
SMILESCOc1cc(/C=C\C(=O)N(CCCN)CCCCNCCCN)cc(OC)c1O
InChIInChI=1S/C21H36N4O4/c1-28-18-15-17(16-19(29-2)21(18)27)7-8-20(26)25(14-6-10-23)13-4-3-11-24-12-5-9-22/h7-8,15-16,24,27H,3-6,9-14,22-23H2,1-2H3/b8-7-
InChIKeyWBJCGTCMGYUEFL-FPLPWBNLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sinapoylspermine (CHEBI:175286) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(Z)-N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
Manual XrefsDatabases
30777010ChemSpider
HMDB0033479HMDB