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Compounds

COMPOUND NPA030282

STRUCTURE

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PROPERTIES

NPAID	NPA030282
CLUSTER ID	1320
NODE ID	1112
NAME	7-ketothiomarinol C
FORMULA	C30H44N2O8S2
MOLECULAR WEIGHT (Da)	624.8220
ACCURATE MASS (Da)	624.2539
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Pseudoalteromonas
ORIGIN SPECIES	sp.
InChIKey	JEIVPNCTEHTHDM-HKIXOUEBSA-N
InChI	InChI=1S/C30H44N2O8S2/c1-18(14-23-28(37)27(36)21(16-40-23)11-9-10-19(2)20(3)33)15-25(35)39-13-8-6-4-5-7-12-24(34)32-26-29-22(17-41-42-29)31-30(26)38/h9-10,15,17,19-21,23,26,28-29,33,37H,4-8,11-14,16H2,1-3H3,(H,31,38)(H,32,34)/b10-9+,18-15+/t19-,20+,21+,23+,26?,28+,29?/m1/s1
SMILES	C/C(=C\C(=O)OCCCCCCCC(=O)NC1C(=O)NC2=CSSC21)C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)C(=O)[C@H]1O

ORIGINAL ISOLATION REFERENCE

CITATION	Gao, SS; Wang, L; Song, Z; Hothersall, J; Stevens, ER; Connolly, J; Winn, PJ; Cox, RJ; Crump, MP; Race, PR; Thomas, CM; Simpson, TJ; Willis, CL Selected Mutations Reveal New Intermediates in the Biosynthesis of Mupirocin and the Thiomarinol Antibiotics. Angewandte Chemie International Edition 2017 56 (14) 3930-3934.
DOI	10.1002/anie.201611590	PMID	28181382

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Gammaproteobacteria	LPSN	1236
Order	Alteromonadales	LPSN	135622
Family	Pseudoalteromonadaceae	LPSN	267888
Genus	Pseudoalteromonas	LPSN	53246

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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