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Compounds

COMPOUND NPA004600

STRUCTURE

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PROPERTIES

NPAID	NPA004600
CLUSTER ID	333
NODE ID	302
NAME	Adda-D-Glu(γ)-Mdhb-D-MeAsp(β)-L-Arg-OH
FORMULA	C41H62N8O11
MOLECULAR WEIGHT (Da)	842.9920
ACCURATE MASS (Da)	842.4538
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Nodularia
ORIGIN SPECIES	spumigena
InChIKey	BPYZNWNSSMCXAU-JDTMAKLZSA-N
InChI	InChI=1S/C41H62N8O11/c1-8-31(37(54)48-34(40(58)59)26(5)36(53)47-30(39(56)57)15-12-20-45-41(43)44)49(6)38(55)29(18-19-33(50)51)46-35(52)25(4)28(42)17-16-23(2)21-24(3)32(60-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-32,34H,1,12,15,18-20,22,42H2,2-7H3,(H,46,52)(H,47,53)(H,48,54)(H,50,51)(H,56,57)(H,58,59)(H4,43,44,45)/b17-16+,23-21+/t24-,25-,26-,28-,29+,30-,31?,32-,34+/m0/s1
SMILES	C[C@@H](/C=C(\C)/C=C/[C@@H]([C@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N(C)C(C=C)C(=O)N[C@H]([C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)O)N)[C@H](CC1=CC=CC=C1)OC

ORIGINAL ISOLATION REFERENCE

CITATION	Choi, Byoung Wook; Namikoshi, Michio; Sun, Furong; Rinehart, Kenneth L.; Carmichael, Wayne W.; Kaup, Anne M.; Evans, William R.; Beasley, Val R. Isolation of linear peptides related to the hepatotoxins nodularin and microcystins Tetrahedron Letters 1993 34 (49) 7881-7884.
DOI	10.1016/s0040-4039(00)61500-9	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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