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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:vincristine
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Accession:CHEBI:28445 term browser browse the term
Definition:A vinca alkaloid with formula C46H56N4O10 found in the Madagascar periwinkle, Catharanthus roseus. It is used (commonly as the corresponding sulfate salt)as a chemotherapy drug for the treatment of leukaemia, lymphoma, myeloma, breast cancer and head and neck cancer.
Synonyms:related_synonym: 22-Oxovincaleukoblastine;   22-oxo-vincaleukoblastine;   Formula=C46H56N4O10;   InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1;   InChIKey=OGWKCGZFUXNPDA-XQKSVPLYSA-N;   SMILES=[H][C@@]12N3CC[C@@]11c4cc(c(OC)cc4N(C=O)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC)[C@]1(C[C@@H]2C[N@](CCc3c1[nH]c1ccccc31)C[C@](O)(CC)C2)C(=O)OC;   leucristine;   leurocristine;   oncovin;   vincristin;   vinkristin
 alt_id: CHEBI:27289;   CHEBI:9987
 xref: Beilstein:4779289;   CAS:57-22-7;   DrugBank:DB00541;   Drug_Central:2825;   HMDB:HMDB0014681;   KEGG:C07204;   KEGG:D08679;   KNApSAcK:C00001783
 xref_mesh: MESH:D014750
 xref: MetaCyc:CPD-19894;   PMID:18520608;   PMID:30277559;   PMID:30429697;   PMID:30599272;   PMID:30604513;   PMID:30657998;   PMID:31048222;   PMID:31161774;   PMID:31214762;   PMID:31296986;   Wikipedia:Vincristine
 cyclic_relationship: is_conjugate_base_of CHEBI:143658


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            vincristine 0
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  CHEBI ontology 0
    subatomic particle 0
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              atomic nucleus 0
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                  main group element atom 0
                    p-block element atom 0
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                          organic molecular entity 0
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                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        carboacyl group 0
                                          univalent carboacyl group 0
                                            carbamoyl group 0
                                              carboxamide 0
                                                formamides 0
                                                  vincristine 0
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