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ID	http://purl.obolibrary.org/obo/CHEBI_27666 http://purl.obolibrary.org/obo/CHEBI_27666 https://agroportal.lirmm.fr/ontologies/EFO/CHEBI_27666 Loading
Preferred name	actinomycin D
Synonyms	Actinomycin D 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 ActD Dactinomycin actinomycin C1 actinomycin IV 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 See more See less

rdf:type	http://www.w3.org/2002/07/owl#Class Loading
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_24431 Loading
rdfs:label	actinomycin D
skos:notation	CHEBI:27666
oboinowl_gen:hasExactSynonym	Actinomycin D 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:hasDbXref	Beilstein:4173766 CAS:50-76-0 DrugBank:DB00970 Drug_Central:774 KEGG:C06770 KEGG:D00214 LINCS:LSM-5783 Wikipedia:Dactinomycin MeSH:D003609 NCIt:C412 SNOMEDCT:387353003 SNOMEDCT:64127001 See more See less
oboinowl_gen:hasOBONamespace	chebi_ontology
oboinowl_gen:id	CHEBI:27666
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR Loading
has_role	http://purl.obolibrary.org/obo/CHEBI_25435 Loading http://purl.obolibrary.org/obo/CHEBI_33281 Loading
oboinowl_gen:hasRelatedSynonym	ActD Dactinomycin actinomycin C1 actinomycin IV 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:hasAlternativeId	CHEBI:22218 CHEBI:2446
obo_purl:charge	0
obo_purl:formula	C62H86N12O16
obo_purl: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:inchikey	RJURFGZVJUQBHK-IIXSONLDSA-N
obo_purl:mass	1255.41700
obo_purl:monoisotopicmass	1254.62847
obo_purl: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

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