4-Coumaroyl-2-hydroxyputrescine (CHEBI:173781)

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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	4-Coumaroyl-2-hydroxyputrescine

ChEBI ID	CHEBI:173781

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18N2O3

Net Charge

Average Mass

250.298

Monoisotopic Mass

250.13174

InChI

InChI=1S/C13H18N2O3/c14-8-7-12(17)9-15-13(18)6-3-10-1-4-11(16)5-2-10/h1-6,12,16-17H,7-9,14H2,(H,15,18)/b6-3+

InChIKey

XBVRGBGSLROQIA-ZZXKWVIFSA-N

SMILES

OC(CCN)CNC(=O)/C=C/C1=CC=C(O)C=C1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	4-Coumaroyl-2-hydroxyputrescine (CHEBI:173781) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

(E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enamide