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Compounds

COMPOUND NPA030200

STRUCTURE

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PROPERTIES

NPAID	NPA030200
CLUSTER ID	1210
NODE ID	1029
NAME	Thalassospiramide B3
FORMULA	C57H85N7O13
MOLECULAR WEIGHT (Da)	1076.3430
ACCURATE MASS (Da)	1075.6205
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Thalassospira
ORIGIN SPECIES	sp.
InChIKey	NSOKEJCBIMHUJD-DUVRQMNTSA-N
InChI	InChI=1S/C57H85N7O13/c1-10-11-12-13-14-15-19-22-47(69)59-42(29-38-20-17-16-18-21-38)45(67)31-48(70)62-52(36(4)5)55(74)60-43(33-65)46(68)32-49(71)61-51(35(2)3)54(73)58-40-25-28-50(72)64(9)53(37(6)7)56(75)63(8)44(57(76)77-34-40)30-39-23-26-41(66)27-24-39/h15-21,23-28,35-37,40,42-46,51-53,65-68H,10-14,22,29-34H2,1-9H3,(H,58,73)(H,59,69)(H,60,74)(H,61,71)(H,62,70)/b19-15-,28-25+/t40-,42+,43+,44+,45+,46+,51+,52+,53+/m1/s1
SMILES	CCCCCC/C=C\CC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H](CO)[C@@H](O)CC(=O)N[C@H](C(=O)N[C@@H]1/C=C/C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=C(O)C=C2)C(=O)OC1)C(C)C)C(C)C

ORIGINAL ISOLATION REFERENCE

CITATION	Zhang, W; Lu, L; Lai, Q; Zhu, B; Li, Z; Xu, Y; Shao, Z; Herrup, K; Moore, BS; Ross, AC; Qian, PY Family-wide Structural Characterization and Genomic Comparisons Decode the Diversity-oriented Biosynthesis of Thalassospiramides by Marine Proteobacteria. Journal of Biological Chemistry 2016 291 (53) 27228-27238.
DOI	10.1074/jbc.M116.756858	PMID	27875306

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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