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Compounds

COMPOUND NPA028414

STRUCTURE

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PROPERTIES

NPAID	NPA028414
CLUSTER ID	6511
NODE ID	141
NAME	Divamide A
FORMULA	C87H138N21O28S3+
MOLECULAR WEIGHT (Da)	2022.3810
ACCURATE MASS (Da)	2020.9177
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Prochloron
ORIGIN SPECIES	didemni
InChIKey	UCUCWKJHBRGGFM-FIKWHDLOSA-O
InChI	InChI=1S/C87H137N21O28S3/c1-17-40(7)61-80(127)102-60(39(5)6)79(126)105-66-46(13)138-36-53-74(121)94-50(71(118)93-49(30-47-24-20-19-21-25-47)70(117)89-32-56(111)99-61)31-88-29-23-22-26-48(86(133)134)92-83(130)65-45(12)137-35-52(96-76(123)55(108(14,15)16)27-28-58(113)114)73(120)91-42(9)69(116)95-51(34-109)72(119)104-64(84(131)98-53)44(11)139-37-54(97-78(125)59(38(3)4)101-81(128)62(41(8)18-2)103-85(66)132)75(122)107-67(68(115)87(135)136)77(124)90-33-57(112)100-63(43(10)110)82(129)106-65/h19-21,24-25,38-46,48-55,59-68,88,109-110,115H,17-18,22-23,26-37H2,1-16H3,(H21-,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,111,112,113,114,116,117,118,119,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136)/p+1/t40-,41-,42-,43+,44-,45-,46-,48-,49-,50-,51-,52-,53-,54-,55-,59-,60-,61-,62-,63-,64+,65+,66+,67-,68+/m0/s1
SMILES	CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CNCCCC[C@@H](C(=O)O)NC(=O)[C@@H]3NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H]([C@@H](O)C(=O)O)NC(=O)[C@@H]4CS[C@@H](C)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[N+](C)(C)C)CS[C@H]3C)C(=O)N[C@@H](CS[C@@H](C)[C@@H](NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N4)C(=O)N2

ORIGINAL ISOLATION REFERENCE

CITATION	Smith TE; Pond CD; Pierce E; Harmer ZP; Kwan J; Zachariah MM; Harper MK; Wyche TP; Matainaho TK; Bugni TS; Barrows LR; Ireland CM; Schmidt EW Accessing chemical diversity from the uncultivated symbionts of small marine animals. Nature Chemical Biology 2018 14 (2) 179-185.
DOI	10.1038/nchembio.2537	PMID	29291350

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Synechococcales	LPSN	1890424
Family	Prochloraceae	LPSN	1213
Genus	Prochloron	LPSN	1214

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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