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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-[4-[2-[[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid
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Accession:CHEBI:125418 term browser browse the term
Definition:A purine nucleoside that has formula C23H29N7O6.
Synonyms:related_synonym: Formula=C23H29N7O6;   InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16?,17?,18-,22+/m0/s1;   InChIKey=PAOANWZGLPPROA-PNXXNBOHSA-N;   SMILES=CCNC(=O)[C@@H]1C(C([C@@H](O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O
 xref: LINCS:LSM-36905


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  CHEBI ontology 226
    chemical entity 226
      atom 226
        nonmetal atom 219
          nitrogen atom 147
            nitrogen molecular entity 147
              nucleobase-containing molecular entity 5
                nucleoside 5
                  purine nucleoside 0
                    3-[4-[2-[[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid 0
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  CHEBI ontology 226
    subatomic particle 226
      composite particle 226
        hadron 226
          baryon 226
            nucleon 226
              atomic nucleus 226
                atom 226
                  main group element atom 219
                    p-block element atom 219
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            heteroorganic entity 201
                              organochalcogen compound 170
                                organooxygen compound 169
                                  carbohydrates and carbohydrate derivatives 38
                                    carbohydrate 38
                                      carbohydrate derivative 33
                                        glycosyl compound 29
                                          N-glycosyl compound 5
                                            nucleoside 5
                                              purine nucleoside 0
                                                3-[4-[2-[[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid 0
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