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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-iodobenzyl-5'-N-methylcarboxamidoadenosine
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Accession:CHEBI:73286 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-iodobenzyl group.
Synonyms:exact_synonym: (2S,3S,4R,5R)-5-{6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide
 related_synonym: 1-Deoxy-1-(6-(((3-iodophenyl)methyl)amino)-9H-purin-9-yl)-N-methyl-beta-D-ribofuranuronamide;   3-IB-Meca;   CF 101;   Formula=C18H19IN6O4;   IB-MECA;   InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1;   InChIKey=HUJXGQILHAUCCV-MOROJQBDSA-N;   N(6)-(3-iodo-benzyl)adenosine-5'-N-methyluronamide;   N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine;   SMILES=CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
 xref: CAS:152918-18-8
 xref_mesh: MESH:C084956
 xref: PMID:23088669;   PMID:23098658;   PMID:23454010;   PMID:23597562;   Reaxys:6831623


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  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          analgesic 0
            adenosine 0
              3-iodobenzyl-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-iodobenzyl-5'-N-methylcarboxamidoadenosine 0
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