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Compounds

COMPOUND NPA006745

STRUCTURE

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PROPERTIES

NPAID	NPA006745
CLUSTER ID	1210
NODE ID	1029
NAME	Thalassospiramide E
FORMULA	C45H70N6O11
MOLECULAR WEIGHT (Da)	871.0860
ACCURATE MASS (Da)	870.5103
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Thalassospira
ORIGIN SPECIES	sp. CNJ-328
InChIKey	SVBUEONWPGTYBI-ZPQPQIPQSA-N
InChI	InChI=1S/C45H70N6O11/c1-9-10-11-12-13-14-15-16-36(55)48-40(28(4)5)43(59)47-33(25-52)35(54)24-38(57)50-39(27(2)3)42(58)46-31-19-22-37(56)49-41(29(6)7)44(60)51(8)34(45(61)62-26-31)23-30-17-20-32(53)21-18-30/h14-15,17-22,27-29,31,33-35,39-41,52-54H,9-13,16,23-26H2,1-8H3,(H,46,58)(H,47,59)(H,48,55)(H,49,56)(H,50,57)/b15-14-,22-19?/t31-,33+,34+,35+,39+,40+,41+/m1/s1
SMILES	CCCCCC/C=C\CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)[C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1COC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C=C1)C(C)C)C)CC2=CC=C(C=C2)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Ross, Avena C.; Xu, Ying; Lu, Liang; Kersten, Roland D.; Shao, Zongze; Al-Suwailem, Abdulaziz M.; Dorrestein, Pieter C.; Qian, Pei-Yuan; Moore, Bradley S. Biosynthetic multitasking facilitates thalassospiramide structural diversity in marine bacteria Journal of the American Chemical Society 2013 135 (3) 1155-1162.
DOI	10.1021/ja3119674	PMID	23270364

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Proteobacteria	LPSN	1224
Class	Alphaproteobacteria	LPSN	28211
Order	Rhodospirillales	LPSN	204441
Family	Rhodospirillaceae	LPSN	41295
Genus	Thalassospira	LPSN	168934

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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