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N-caffeoylputrescine

Properties

Image

Occurences in reactions

MNX_ID

MNXM4726

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₃H₁₉N₂O₃

charge

mass

251.13902

reference

InChIKey

KTZNZCYTXQYEHT-GQCTYLIASA-O

InChI

InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/p+1/b6-4+

SMILES

[NH3+]CCCCNC(=O)/C=C/c1ccc(O)c(O)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58138 chebi:58138	N-caffeoylputrescine 4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butan-1-aminium N-caffeoylputrescinium cation N-caffeoylputrescinium(1+)
hmdb:HMDB0139529	(2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidic acid (2E)-N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)acrylamide (2E)-N-(4-Aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enimidate N-caffeoylputrescine
kegg.compound:C03002 keggC:C03002	N-Caffeoylputrescine
seed.compound:cpd01925 seedM:cpd01925	N-Caffeoylputrescine N-caffeoylputrescine
metacyc.compound:CPD-411 metacycM:CPD-411	N-caffeoylputrescine
CHEBI:17417 chebi:17417	N-caffeoylputrescine (2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)acrylamide (2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide N-Caffeoylputrescine
chebi:12494 chebi:21684 chebi:7254 keggC:M_C03002 seedM:M_cpd01925	secondary/obsolete/fantasy identifier