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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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  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          analgesic 0
            adenosine 0
              3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          N-glycosyl compound 0
                                            nucleoside 0
                                              ribonucleoside 0
                                                purine ribonucleoside 0
                                                  purines D-ribonucleoside 0
                                                    adenosine 0
                                                      3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine 0
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