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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:roducitabine
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Accession:CHEBI:147412 term browser browse the term
Definition:A triol that is (1S,2R)-4-fluoro-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol which is substituted by a 4-amino-2-oxopyrimidin-1(2H)-yl group at position 5. It is a cytidine analog which exhibits anticancer activity in several cancers, including gemcitabine-resistant tumours.
Synonyms:exact_synonym: 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2(1H)-one
 related_synonym: 1-[(1S,4R,5S)-2-fluoro-3-(hydroxymethyl)-4,5-dihydroxy-2-cyclopentenyl]cytosine;   4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,2-dihydropyrimidin-2-one;   Formula=C10H12FN3O4;   InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1;   InChIKey=QLLGKCJUPWYJON-HLTSFMKQSA-N;   RX-3117;   RX3117;   SMILES=C1(=NC(N(C=C1)[C@H]2[C@@H]([C@@H](C(=C2F)CO)O)O)=O)N;   TV-1360;   fluorocyclopentenyl cytosine;   fluorocyclopentenylcytosine
 xref: CAS:865838-26-2;   KEGG:D11740;   PMID:22524616;   PMID:24048768;   PMID:24940694;   PMID:25503121;   PMID:27612203;   PMID:27906620;   PMID:27906622;   PMID:30663502;   PMID:30879349;   PMID:31262886;   PMID:32295203



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  CHEBI ontology 19863
    role 19835
      biological role 19833
        biochemical role 19540
          antimetabolite 10302
            roducitabine 0
Path 2
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  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      chalcogen 19557
                        oxygen atom 19530
                          oxygen molecular entity 19530
                            hydroxides 19337
                              organic hydroxy compound 18968
                                alcohol 15716
                                  allylic alcohol 968
                                    primary allylic alcohol 680
                                      roducitabine 0
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