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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 501
    role 501
      chemical role 425
        antioxidant 43
          ferulic acid 0
            feruloylagmatine 0
              hordatine B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      carboacyl group 307
                                        univalent carboacyl group 307
                                          carbamoyl group 305
                                            carboxamide 305
                                              alpha,beta-unsaturated carboxylic acid amide 0
                                                enamide 0
                                                  cinnamamides 0
                                                    4-hydroxy-3-methoxycinnamoylagmatine 0
                                                      feruloylagmatine 0
                                                        hordatine B 0
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