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Compounds

COMPOUND NPA004445

STRUCTURE

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PROPERTIES

NPAID	NPA004445
CLUSTER ID	1210
NODE ID	1029
NAME	Thalassospiramide A4
FORMULA	C51H81N7O12
MOLECULAR WEIGHT (Da)	984.2460
ACCURATE MASS (Da)	983.5943
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Thalassospira
ORIGIN SPECIES	sp. CNJ-328
InChIKey	LCUIMXBTIQXBRX-ZLKAPOBXSA-N
InChI	InChI=1S/C51H81N7O12/c1-11-12-13-14-15-16-17-18-41(62)53-37(25-30(2)3)47(65)57-45(32(6)7)49(67)54-38(28-59)40(61)27-43(64)56-44(31(4)5)48(66)52-35-21-24-42(63)55-46(33(8)9)50(68)58(10)39(51(69)70-29-35)26-34-19-22-36(60)23-20-34/h16-17,19-24,30-33,35,37-40,44-46,59-61H,11-15,18,25-29H2,1-10H3,(H,52,66)(H,53,62)(H,54,67)(H,55,63)(H,56,64)(H,57,65)/b17-16-,24-21?/t35-,37+,38+,39+,40+,44+,45+,46+/m1/s1
SMILES	CCCCCC/C=C\CC(=O)N[C@@H](CC(C)C)C(=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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