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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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Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      biological role 494
        biochemical role 454
          antimetabolite 3
            sapacitabine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            heteroorganic entity 471
                              organochalcogen compound 425
                                organooxygen compound 423
                                  carbohydrates and carbohydrate derivatives 48
                                    carbohydrate 48
                                      carbohydrate derivative 43
                                        glycosyl compound 34
                                          N-glycosyl compound 5
                                            nucleoside 5
                                              deoxyribonucleoside 0
                                                2'-deoxyribonucleoside 0
                                                  pyrimidine 2'-deoxyribonucleoside 0
                                                    CNDAC 0
                                                      sapacitabine 0
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