CHEBI:58138 - N-caffeoylputrescinium(1+)

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ChEBI Name N-caffeoylputrescinium(1+) ChEBI ID CHEBI:58138 ChEBI ASCII Name N-caffeoylputrescinium(1+) Definition The conjugate acid of N-caffeoylputrescine; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H19N2O3 Net Charge +1 Average Mass 251.30160 Monoisotopic Mass 251.13902 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+ InChIKey KTZNZCYTXQYEHT-GQCTYLIASA-O SMILES [NH3+]CCCCNC(=O)\C=C\c1ccc(O)c(O)c1 ChEBI Ontology Outgoing N-caffeoylputrescinium(1+) (CHEBI:58138) is a ammonium ion derivative (CHEBI:35274) N-caffeoylputrescinium(1+) (CHEBI:58138) is conjugate acid of N-caffeoylputrescine (CHEBI:17417) Incoming N-caffeoylputrescine (CHEBI:17417) is conjugate base of N-caffeoylputrescinium(1+) (CHEBI:58138) IUPAC Name 4-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino}butan-1-aminium Synonyms Sources N-caffeoylputrescine UniProt N-caffeoylputrescinium cation ChEBI Last Modified 13 November 2017