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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:4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxymethyl]benzonitrile
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Accession:CHEBI:95010 term browser browse the term
Definition:A purine nucleoside that has formula C25H23Cl2N7O4.
Synonyms:related_synonym: Formula=C25H23Cl2N7O4;   InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1;   InChIKey=ZXGGCBQORXDVTE-UMCMBGNQSA-N;   SMILES=C1=CC(=CC=C1COC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=NC=N4)N)N=C3NCC5=CC(=C(C=C5)Cl)Cl)O)O)C#N
 xref: LINCS:LSM-6239



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Path 1
Term Annotations click to browse term
  CHEBI ontology 26040
    chemical entity 26019
      atom 26015
        nonmetal atom 25504
          nitrogen atom 22544
            nitrogen molecular entity 22544
              nucleobase-containing molecular entity 5966
                nucleoside 5966
                  purine nucleoside 787
                    4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxymethyl]benzonitrile 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24775
                              organochalcogen compound 24387
                                organooxygen compound 24061
                                  carbohydrates and carbohydrate derivatives 16781
                                    carbohydrate 16781
                                      carbohydrate derivative 15657
                                        glycosyl compound 13725
                                          N-glycosyl compound 6122
                                            nucleoside 5966
                                              purine nucleoside 787
                                                4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-2-oxolanyl]methoxymethyl]benzonitrile 0
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