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CHEBI:176269 - N1,N5,N10-Tris-trans-p-coumaroylspermine

ChEBI IDCHEBI:176269
ChEBI NameN1,N5,N10-Tris-trans-p-coumaroylspermine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H44N4O6
Net Charge0
Average Mass640.781
Monoisotopic Mass640.32609
SMILESNCCCN(CCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C37H44N4O6/c38-23-3-27-40(36(46)21-12-30-7-16-33(43)17-8-30)25-1-2-26-41(37(47)22-13-31-9-18-34(44)19-10-31)28-4-24-39-35(45)20-11-29-5-14-32(42)15-6-29/h5-22,42-44H,1-4,23-28,38H2,(H,39,45)/b20-11+,21-12+,22-13+
InChIKeyZCAPOTKWNMCAIB-YUXOBOFSSA-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)
N1,N5,N10-Tris-trans-p-coumaroylspermine (CHEBI:176269) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-N-[3-[4-[3-aminopropyl-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propyl]-3-(4-hydroxyphenyl)prop-2-enamide
Manual XrefsDatabases
9083645ChemSpider
HMDB0039962HMDB