{"@context":{"obo_purl":"http://purl.obolibrary.org/obo/","rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","owl":"http://www.w3.org/2002/07/owl#","rdfs":"http://www.w3.org/2000/01/rdf-schema#","skos":"http://www.w3.org/2004/02/skos/core#","oboinowl_gen":"http://www.geneontology.org/formats/oboInOwl#","ns0":"http://purl.obolibrary.org/obo/chebi#","ns1":"http://purl.obolibrary.org/obo#","metadata_def":"http://data.bioontology.org/metadata/def/","ns2":"http://purl.obolibrary.org/obo/chebi/"},"@id":"obo_purl:CHEBI_28445","@type":"owl:Class","rdfs:subClassOf":[{"@id":"obo_purl:CHEBI_24532"},{"@id":"obo_purl:CHEBI_37622"}],"rdfs:label":"vincristine","skos:notation":"CHEBI:28445","obo_purl:IAO_0000115":"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.","oboinowl_gen:hasExactSynonym":["22-oxovincaleukoblastine","Vincristine"],"oboinowl_gen:hasDbXref":["Beilstein:4779289","CAS:57-22-7","DrugBank:DB00541","Drug_Central:2825","HMDB:HMDB0014681","KEGG:C07204","KEGG:D08679","KNApSAcK:C00001783","MetaCyc:CPD-19894","NCIt:C933","PMID:18520608","PMID:30277559","PMID:30429697","PMID:30599272","PMID:30604513","PMID:30657998","PMID:31048222","PMID:31161774","PMID:31214762","PMID:31296986","SNOMEDCT:23079006","SNOMEDCT:387126006","Wikipedia:Vincristine","MESH:D014750"],"oboinowl_gen:hasOBONamespace":"chebi_ontology","oboinowl_gen:id":"CHEBI:28445","oboinowl_gen:inSubset":{"@id":"ns0:3_STAR"},"ns1:has_role":{"@id":"obo_purl:CHEBI_35610"},"metadata_def:prefLabel":"vincristine","oboinowl_gen:hasRelatedSynonym":["(+)-Vincristine","22-Oxovincaleukoblastine","22-oxo-vincaleukoblastine","leucristine","leurocristine","oncovin","vincristin","vinkristin"],"metadata_def:mappingLoom":"vincristine","metadata_def:mappingSameURI":{"@id":"obo_purl:CHEBI_28445"},"oboinowl_gen:hasAlternativeId":["CHEBI:27289","CHEBI:9987"],"ns2:charge":"0","ns2:formula":"C46H56N4O10","ns2:inchi":"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","ns2:inchikey":"OGWKCGZFUXNPDA-XQKSVPLYSA-N","ns2:mass":"824.95780","ns2:monoisotopicmass":"824.39964","ns2: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"}