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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19879
    role 19850
      chemical role 19480
        antioxidant 16173
          trans-ferulic acid 977
            feruloylagmatine 0
              hordatine B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19879
    subatomic particle 19877
      composite particle 19877
        hadron 19877
          baryon 19877
            nucleon 19877
              atomic nucleus 19877
                atom 19877
                  main group element atom 19816
                    p-block element atom 19816
                      carbon group element atom 19756
                        carbon atom 19753
                          organic molecular entity 19753
                            heteroorganic entity 19521
                              organochalcogen compound 19281
                                organooxygen compound 19199
                                  carbon oxoacid 18676
                                    carboxylic acid 18673
                                      monocarboxylic acid 18012
                                        alpha,beta-unsaturated monocarboxylic acid 13461
                                          cinnamic acids 2551
                                            hydroxycinnamic acid 1409
                                              monohydroxycinnamic acid 1061
                                                ferulic acids 1024
                                                  ferulic acid 1024
                                                    trans-ferulic acid 977
                                                      feruloylagmatine 0
                                                        hordatine B 0
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