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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:3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine
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Accession:CHEBI:73285 term browser browse the term
Definition:A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodo-4-aminobenzyl group.
Synonyms:exact_synonym: (2S,3S,4R,5R)-5-{6-[(4-amino-3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide
 related_synonym: AB-MECA;   Formula=C18H20IN7O4;   I-AB-MECA;   InChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1;   InChIKey=LOGOEBMHHXYBID-MOROJQBDSA-N;   N(6)-(3-iodo-4-aminobenzyl)-adenosine-5'-N-methyluronamide;   N(6)-(4-amino-3-iodobenzyl)-adenosine-5'-N-methyluronamide;   SMILES=CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
 xref: PMID:23219796;   PMID:23597562;   Reaxys:6832347


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        pharmacological role 19030
          analgesic 14719
            adenosine 400
              3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine 0
Path 2
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbohydrates and carbohydrate derivatives 15269
                                    carbohydrate 15284
                                      carbohydrate derivative 14290
                                        glycosyl compound 13035
                                          N-glycosyl compound 5808
                                            nucleoside 5662
                                              ribonucleoside 1121
                                                purine ribonucleoside 785
                                                  purines D-ribonucleoside 413
                                                    adenosine 400
                                                      3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine 0
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