<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:ns1="http://purl.obolibrary.org/obo#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_27666"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_16670"/> <rdfs:label>actinomycin D</rdfs:label> <skos:notation>CHEBI:27666</skos:notation> <oboinowl_gen:hasExactSynonym>Actinomycin D</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>Beilstein:4173766</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:50-76-0</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>DrugBank:DB00970</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:774</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:C06770</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:D00214</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LINCS:LSM-5783</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Dactinomycin</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>NCIt:C412</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>SNOMEDCT:387353003</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>SNOMEDCT:64127001</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MESH:D003609</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:27666</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <ns1:has_role rdf:resource="http://purl.obolibrary.org/obo/CHEBI_25435"/> <ns1:has_role rdf:resource="http://purl.obolibrary.org/obo/CHEBI_33281"/> <metadata_def:prefLabel>actinomycin D</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>ActD</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Dactinomycin</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>actinomycin C1</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>actinomycin IV</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>actinomycind</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_27666"/> <oboinowl_gen:hasAlternativeId>CHEBI:22218</oboinowl_gen:hasAlternativeId> <oboinowl_gen:hasAlternativeId>CHEBI:2446</oboinowl_gen:hasAlternativeId> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C62H86N12O16</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>RJURFGZVJUQBHK-IIXSONLDSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>1255.41700</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>1254.62847</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>[H][C@@]12CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)c1ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@]6([H])CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc13)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C2=O)C(C)C</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_27666"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_27666"/> </rdf:Description> </rdf:RDF>