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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 21552
    chemical entity 21550
      atom 21537
        nonmetal atom 21418
          nitrogen atom 19240
            nitrogen molecular entity 19240
              nucleobase-containing molecular entity 5409
                nucleoside 5409
                  purine nucleoside 617
                    3-[4-[2-[[6-amino-9-[(2R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]amino]ethyl]phenyl]propanoic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21552
    subatomic particle 21537
      composite particle 21537
        hadron 21537
          baryon 21537
            nucleon 21537
              atomic nucleus 21537
                atom 21537
                  main group element atom 21442
                    p-block element atom 21442
                      carbon group element atom 21235
                        carbon atom 21133
                          organic molecular entity 21133
                            heteroorganic entity 20770
                              organochalcogen compound 19989
                                organooxygen compound 19910
                                  carbohydrates and carbohydrate derivatives 12807
                                    carbohydrate 12807
                                      carbohydrate derivative 12438
                                        glycosyl compound 11154
                                          N-glycosyl compound 5548
                                            nucleoside 5409
                                              purine nucleoside 617
                                                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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