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Compounds

COMPOUND NPA011377

STRUCTURE

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PROPERTIES

NPAID	NPA011377
CLUSTER ID	251
NODE ID	230
NAME	(1S,3aR)-jadomycin Ala
FORMULA	C27H25NO9
MOLECULAR WEIGHT (Da)	507.4950
ACCURATE MASS (Da)	507.1529
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Streptomyces
ORIGIN SPECIES	venezuelae ISP 5230
InChIKey	RZOHWPFQSWBZBM-VKQDQWMPSA-N
InChI	InChI=1S/C27H25NO9/c1-10-7-14-19(15(29)8-10)21-22(28-11(2)27(34)37-26(14)28)25(33)20-13(24(21)32)5-4-6-17(20)36-18-9-16(30)23(31)12(3)35-18/h4-8,11-12,16,18,23,26,29-31H,9H2,1-3H3/t11-,12-,16+,18-,23-,26+/m0/s1
SMILES	C[C@H]1[C@@H]([C@@H](C[C@@H](O1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C5=C(C=C(C=C5[C@@H]6N4[C@H](C(=O)O6)C)C)O)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Rix, Uwe; Zheng, Jianting; Rix, Lily L. Remsing; Greenwell, Lisa; Yang, Keqian; Rohr, Juergen The Dynamic Structure of Jadomycin B and the Amino Acid Incorporation Step of Its Biosynthesis Journal of the American Chemical Society 2004 126 (14) 4496-4497.
DOI	10.1021/ja031724o	PMID	15070349

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

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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