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Compounds

COMPOUND NPA027623

STRUCTURE

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PROPERTIES

NPAID	NPA027623
CLUSTER ID	8239
NODE ID	5595
NAME	N-sulfocarbamoylgonyautoxin-3
FORMULA	C10H17N7O12S2
MOLECULAR WEIGHT (Da)	491.4170
ACCURATE MASS (Da)	491.0377
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Scytonema
ORIGIN SPECIES	crispum
InChIKey	HUDHMIUZDXZZRC-XXKOCQOQSA-N
InChI	InChI=1S/C10H17N7O12S2/c11-6-13-5-3(2-28-8(18)15-30(22,23)24)17(21)7(12)16-1-4(29-31(25,26)27)10(19,20)9(5,16)14-6/h3-5,12,19-21H,1-2H2,(H,15,18)(H3,11,13,14)(H,22,23,24)(H,25,26,27)/t3-,4+,5-,9-/m0/s1
SMILES	N=C1N(O)[C@@H](COC(=O)NS(=O)(=O)O)[C@@H]2N=C(N)N[C@]23N1C[C@@H](OS(=O)(=O)O)C3(O)O

ORIGINAL ISOLATION REFERENCE

CITATION	D'Agostino PM; Boundy MJ; Harwood TD; Carmichael WW; Neilan BA; Wood SA Re-evaluation of paralytic shellfish toxin profiles in cyanobacteria using hydrophilic interaction liquid chromatography-tandem mass spectrometry. Toxicon 2019 158 1-7.
DOI	10.1016/j.toxicon.2018.11.301	PMID	30471380

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Cyanobacteria	LPSN	1117
Class	Cyanophyceae	LPSN	-
Order	Nostocales	LPSN	1161
Family	Scytonemataceae	LPSN	1182
Genus	Scytonema	LPSN	1203

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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