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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:topotecan
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Accession:CHEBI:63632 term browser browse the term
Definition:A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.
Synonyms:exact_synonym: (4S)-10-[(dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
 related_synonym: 9-[(dimethylamino)methyl]-10-hydroxy-(4S)-camptothecin;   Formula=C23H23N3O5;   InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1;   InChIKey=UCFGDBYHRUNTLO-QHCPKHFHSA-N;   SMILES=CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O;   topotecane;   topotecanum
 alt_id: CHEBI:9634
 xref: CAS:123948-87-8;   DrugBank:DB01030;   KEGG:C11158;   KEGG:D08618;   LINCS:LSM-5662
 xref_mesh: MESH:D019772
 xref: PDBeChem:TTC;   PMID:20574789;   PMID:21255983;   PMID:21352915;   PMID:21910214;   PMID:22028494;   PMID:22075006;   PMID:22136714;   PMID:22190039;   Patent:EP321122;   Reaxys:4279441;   Wikipedia:Topotecan


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    Path 1
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      CHEBI ontology 22210
        role 22195
          application 21776
            pharmaceutical 21191
              drug 21191
                antineoplastic agent 18895
                  topotecan 2676
    Path 2
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      CHEBI ontology 22210
        subatomic particle 22202
          composite particle 22202
            hadron 22202
              baryon 22202
                nucleon 22202
                  atomic nucleus 22202
                    atom 22202
                      main group element atom 22136
                        p-block element atom 22136
                          carbon group element atom 21936
                            carbon atom 21861
                              organic molecular entity 21861
                                organic molecule 21678
                                  organic cyclic compound 21285
                                    organic heterocyclic compound 20356
                                      organic heteropolycyclic compound 19643
                                        organic heteropentacyclic compound 13574
                                          pyranoindolizinoquinoline 3235
                                            topotecan 2676
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