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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N1,N5,N10-Tris-trans-p-coumaroylspermine
ChEBI ID CHEBI:176269
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H44N4O6
Net Charge 0
Average Mass 640.781
Monoisotopic Mass 640.32609
InChI InChI=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+
InChIKey ZCAPOTKWNMCAIB-YUXOBOFSSA-N
SMILES O=C(N(CCCCN(CCCN)C(=O)/C=C/C1=CC=C(O)C=C1)CCCNC(=O)/C=C/C2=CC=C(O)C=C2)/C=C/C3=CC=C(O)C=C3
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
9083645 ChemSpider
HMDB0039962 HMDB
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