About: Esperamicin X

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An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	Esperamicin X (en)
skos:prefLabel	Esperamicin X (en)
name	Esperamicin X (en)
isomeric SMILES	wds:Q105287254-D3460660-E878-4D52-869F-5EED6122086A
isomeric SMILES	C=C(OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O[C@H]1C[C@H](O[C@H]2C(=O)[C@@H](N=C(O)OC)[C@]34SCC=C3[C@@]2(O)c2ccccc2[C@H]4O)O[C@@H](C)[C@H]1O
instance of	wds:Q105287254-7FD0899A-9E76-4F15-AFB3-55DA13FB543C
instance of	type of chemical entity
subclass of	wds:Q105287254-5429C41D-DAEC-4E2C-AF49-0ABC30873BC1
subclass of	[6-[[2,9-Dihydroxy-14-(methoxycarbonylamino)-15-oxo-13-thiatetracyclo[7.4.3.01,10.03,8]hexadeca-3,5,7,10-tetraen-16-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] 4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)benzoate
found in taxon	wds:Q105287254-2F6EC656-D060-4AE9-B98D-BEF96AF8A464
found in taxon	Actinomadura verrucosospora
UniChem compound ID	wds:Q105287254-4DE4CE36-0FE6-4099-BEA8-5881F6BB117C
canonical SMILES	wds:Q105287254-579943F3-258A-4629-B9EC-2DD751F587AD
InChI	wds:Q105287254-1D7C7A23-87D4-4499-B9B6-EFB6344FF802
InChIKey	wds:Q105287254-8748C70E-4110-4886-88C6-9103610EF758
chemical formula	wds:Q105287254-C7D2C52B-003F-4608-B412-DDF99CB71EDF
PubChem CID	wds:Q105287254-18C36A34-3FD8-43BF-AA15-605CE7397958
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID146684974
UniChem compound ID	178088328
canonical SMILES	C=C(OC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC1CC(OC2C(=O)C(NC(=O)OC)C34SCC=C3C2(O)c2ccccc2C4O)OC(C)C1O
InChI	InChI=1S/C36H40N2O14S/c1-16-27(39)24(51-33(43)19-13-22(47-4)23(48-5)14-21(19)37-32(42)17(2)46-3)15-26(50-16)52-31-28(40)29(38-34(44)49-6)36-25(11-12-53-36)35(31,45)20-10-8-7-9-18(20)30(36)41/h7-11,13-14,16,24,26-27,29-31,39,41,45H,2,12,15H2,1,3-6H3,(H,37,42)(H,38,44)/t16-,24-,26-,27+,29+,30+,31-,35-,36+/m0/s1
InChIKey	VJHJKMGVGQWRIC-PFRUFCEFSA-N
chemical formula	C₃₆H₄₀N₂O₁₄S
PubChem CID	146684974
mass	wds:Q105287254-B5BEC4BE-4158-434C-887F-64D06F9E8978
mass	756.22002496 (xsd:decimal)
Natural Product Atlas ID	wds:Q105287254-7D637D76-065A-4A44-9039-51EF7A09AD24
Natural Product Atlas ID	NPA028984
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105287254
is main subject of	Esperamicins, a novel class of potent antitumor antibiotics. 2. Structure of esperamicin X
is main subject of	wds:Q105287253-7F304BA7-3626-469F-BB0B-CFC6EBB5E0E1

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