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CHEBI:166661 - Decarbamoylgonyautoxin III

ChEBI IDCHEBI:166661
ChEBI NameDecarbamoylgonyautoxin III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N6O7S
Net Charge0
Average Mass352.329
Monoisotopic Mass352.08012
SMILESNC1=NC2C(CO)N=C(N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1
InChIInChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)
InChIKeyAJLCXXKDNUGKKH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
neurotoxin  A poison that interferes with the functions of the nervous system.
sodium channel blocker  An agent that inhibits sodium influx through cell membranes.
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Decarbamoylgonyautoxin III (CHEBI:166661) has role marine metabolite (CHEBI:76507)
Decarbamoylgonyautoxin III (CHEBI:166661) is a organic heterotricyclic compound (CHEBI:26979)
Decarbamoylgonyautoxin III (CHEBI:166661) is a paralytic shellfish toxin (CHEBI:167564)
IUPAC Name 
[2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulate
Manual XrefsDatabases
26502476ChemSpider
HMDB0040137HMDB