Feruloyl-2-hydroxyputrescine (CHEBI:172311)

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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	Feruloyl-2-hydroxyputrescine

ChEBI ID	CHEBI:172311

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20N2O4

Net Charge

Average Mass

280.324

Monoisotopic Mass

280.14231

InChI

InChI=1S/C14H20N2O4/c1-20-13-8-10(2-4-12(13)18)3-5-14(19)16-9-11(17)6-7-15/h2-5,8,11,17-18H,6-7,9,15H2,1H3,(H,16,19)/b5-3+

InChIKey

MHXWDKFRPOVGGG-HWKANZROSA-N

SMILES

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

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study

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	Feruloyl-2-hydroxyputrescine (CHEBI:172311) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

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