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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:sapacitabine
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Accession:CHEBI:145429 term browser browse the term
Definition:A nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML).
Synonyms:exact_synonym: 1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-4-(hexadecanoylamino)pyrimidin-2(1H)-one
 related_synonym: CS-682;   CS682;   CYC 682;   CYC682;   Formula=C26H42N4O5;   InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1;   InChIKey=LBGFKUUHOPIEMA-PEARBKPGSA-N;   N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)hexadecanamide;   N-[1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-4-yl]hexadecanamide;   PCNDAC;   SMILES=O1[C@@H]([C@H]([C@@H]([C@@H]1N2C(N=C(C=C2)NC(CCCCCCCCCCCCCCC)=O)=O)C#N)O)CO;   sapacitabina;   sapacitabinum
 xref: CAS:151823-14-2;   DrugBank:DB06365;   KEGG:D09722;   PMID:16502355;   PMID:16788861;   PMID:17637678;   PMID:22329458;   PMID:22404148;   PMID:22739266;   PMID:23075701;   PMID:24790002;   PMID:24851045;   PMID:25676423;   PMID:26523431;   PMID:28802254;   PMID:30222471;   PMID:9989668;   Wikipedia:Sapacitabine



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19838
    role 19810
      biological role 19808
        biochemical role 19543
          antimetabolite 10277
            sapacitabine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19722
                        carbon atom 19719
                          organic molecular entity 19719
                            heteroorganic entity 19474
                              organochalcogen compound 19262
                                organooxygen compound 19153
                                  carbohydrates and carbohydrate derivatives 15270
                                    carbohydrate 15270
                                      carbohydrate derivative 14281
                                        glycosyl compound 13035
                                          N-glycosyl compound 5826
                                            nucleoside 5680
                                              deoxyribonucleoside 2887
                                                2'-deoxyribonucleoside 2246
                                                  pyrimidine 2'-deoxyribonucleoside 353
                                                    CNDAC 0
                                                      sapacitabine 0
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