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Compounds

COMPOUND NPA017238

STRUCTURE

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PROPERTIES

NPAID	NPA017238
CLUSTER ID	415
NODE ID	374
NAME	Nodulapeptin A
FORMULA	C44H63N7O13S
MOLECULAR WEIGHT (Da)	930.0910
ACCURATE MASS (Da)	929.4205
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodularia
ORIGIN SPECIES	spumigena AV1
InChIKey	HNJXEUPVUNYUNF-ORCWKVIUSA-N
InChI	InChI=1S/C44H63N7O13S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-64-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-65(5,62)63/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32+,33-,34-,35-,36-,37-/m0/s1
SMILES	CC[C@H](C)[C@@H](C(=O)O)NC(=O)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCS(=O)(=O)C)CCC2=CC=CC=C2)C)CCC3=CC=C(C=C3)O)COC(=O)C

ORIGINAL ISOLATION REFERENCE

CITATION	Kiyonaga, Fujii; Sivonen, Kaarina; Adachi, Kyoko; Noguchi, Kazuyoshi; Sano, Hiroshi; et al. Comparative Study of Toxic and Non-toxic Cyanobacterial Products: Novel Peptides from Toxic Nodularia spumigena AV1 Tetrahedron Letters 1997 38 (31) 5525-5528.
DOI	10.1016/s0040-4039(97)01192-1	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Aphanizomenonaceae	LPSN	1892259
Genus	Nodularia	LPSN	159191

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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