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N-caffeoylputrescine

PropertiesImage
MNX_IDMNXM4726 Image of MNXM4726
referencechebi:58138
formulaC13H19N2O3
global charge1
mol weight251.306
InChIKeyKTZNZCYTXQYEHT-GQCTYLIASA-O
InChIInChI=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/C1=CC(O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/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)/b6-4+ Image of MNXM4726
SMILES (mnx)[CH2:1]([CH2:2][CH2:8]/[N:15]=[C:13](/[CH:6]=[CH:4]/[C:10]1=[CH:9][C:12]([OH:17])=[C:11]([OH:16])[CH:5]=[CH:3]1)[OH:18])[CH2:7][NH2:14]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58138
chebi:58138
KTZNZCYTXQYEHT-GQCTYLIASA-O 		N-caffeoylputrescine
4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butan-1-aminium
N-caffeoylputrescinium cation
N-caffeoylputrescinium(1+)

kegg.compound:C03002
keggC:C03002
KTZNZCYTXQYEHT-GQCTYLIASA-N 		N-Caffeoylputrescine

seed.compound:cpd01925
seedM:cpd01925
KTZNZCYTXQYEHT-GQCTYLIASA-O 		N-Caffeoylputrescine
N-caffeoylputrescine

metacyc.compound:CPD-411
metacycM:CPD-411
KTZNZCYTXQYEHT-GQCTYLIASA-O 		N-caffeoylputrescine

CHEBI:17417
chebi:17417
KTZNZCYTXQYEHT-GQCTYLIASA-N 		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