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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:feruloylagmatine
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Accession:CHEBI:75544 term browser browse the term
Definition:A member of the class of cinnamamides obtained by formal condensation of the carboxy group of ferulic acid with the amino group of agmatine.
Synonyms:exact_synonym: (2E)-N-(4-carbamimidamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
 related_synonym: 1-(trans-4'-hydroxy-3'-methoxycinnamoylamino)-4-guanidinobutane;   Formula=C15H22N4O3;   InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+;   InChIKey=UBMDAKWARMURDL-FNORWQNLSA-N;   N1-trans-Feruloylagmatine;   SMILES=COc1cc(\\C=C\\C(=O)NCCCCNC(N)=N)ccc1O
 xref: HMDB:HMDB0037107;   KEGG:C18325;   MetaCyc:CPD-12236;   PMID:10993146;   PMID:18270436;   PMID:18649321;   PMID:19521717;   Reaxys:7650492


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19840
    role 19816
      chemical role 19453
        antioxidant 16150
          ferulic acid 989
            feruloylagmatine 0
              hordatine B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19788
                    p-block element atom 19788
                      carbon group element atom 19734
                        carbon atom 19730
                          organic molecular entity 19730
                            heteroorganic entity 19485
                              organochalcogen compound 19247
                                organooxygen compound 19165
                                  carbon oxoacid 18633
                                    carboxylic acid 18630
                                      carboacyl group 17702
                                        univalent carboacyl group 17702
                                          carbamoyl group 17552
                                            carboxamide 17552
                                              alpha,beta-unsaturated carboxylic acid amide 7112
                                                enamide 7112
                                                  cinnamamides 1355
                                                    4-hydroxy-3-methoxycinnamoylagmatine 0
                                                      feruloylagmatine 0
                                                        hordatine B 0
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