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Compounds

COMPOUND NPA004018

STRUCTURE

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EXTERNAL LINKS

PROPERTIES

NPAID	NPA004018
CLUSTER ID	2140
NODE ID	1706
NAME	6-deoxyerythronolide B
FORMULA	C21H38O6
MOLECULAR WEIGHT (Da)	386.5290
ACCURATE MASS (Da)	386.2668
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	erythreus
InChIKey	HQZOLNNEQAKEHT-IBBGRPSASA-N
InChI	InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1
SMILES	CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Martin, Jerry R; Rosenbrook, William Studies on the biosynthesis of the erythromycins. II. Isolation and structure of a biosynthetic intermediate, 6-deoxyerythronolide B Biochemistry 1967 6 (2) 435-440.
DOI	10.1021/bi00854a010	PMID	6047629

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptomycetales	LPSN	85011
Family	Streptomycetaceae	LPSN	2062
Genus	Streptomyces	LPSN	1883

SYNTHESES

CITATION 1	Gao X; Woo SK; Krische MJ Total synthesis of 6-deoxyerythronolide B via C-C bond-forming transfer hydrogenation. Journal of the American Chemical Society 2013 135 (11) 4223-4226. DOI: 10.1021/ja4008722 PMID: 23464668
CITATION 2	Stang EM; White MC Total synthesis and study of 6-deoxyerythronolide B by late-stage C-H oxidation. Nature Chemistry 2009 1 (7) 547-551. DOI: 10.1038/nchem.351 PMID: 21378935

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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