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Compounds

COMPOUND NPA012319

STRUCTURE

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PROPERTIES

NPAID	NPA012319
CLUSTER ID	1210
NODE ID	1029
NAME	Thalassospiramide A5
FORMULA	C54H79N7O12
MOLECULAR WEIGHT (Da)	1018.2630
ACCURATE MASS (Da)	1017.5787
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Thalassospira
ORIGIN SPECIES	sp. CNJ-328
InChIKey	IVBBMPWCSBTTHK-PIOZPJAHSA-N
InChI	InChI=1S/C54H79N7O12/c1-9-10-11-12-13-14-18-21-44(65)56-40(28-36-19-16-15-17-20-36)50(68)60-48(34(4)5)52(70)57-41(31-62)43(64)30-46(67)59-47(33(2)3)51(69)55-38-24-27-45(66)58-49(35(6)7)53(71)61(8)42(54(72)73-32-38)29-37-22-25-39(63)26-23-37/h14-20,22-27,33-35,38,40-43,47-49,62-64H,9-13,21,28-32H2,1-8H3,(H,55,69)(H,56,65)(H,57,70)(H,58,66)(H,59,67)(H,60,68)/b18-14-,27-24?/t38-,40+,41+,42+,43+,47+,48+,49+/m1/s1
SMILES	CCCCCC/C=C\CC(=O)N[C@@H](CC1=CC=CC=C1)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]2COC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)C=C2)C(C)C)C)CC3=CC=C(C=C3)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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