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CHEBI:80768 - Gonyautoxin 1

ChEBI IDCHEBI:80768
ChEBI NameGonyautoxin 1
Stars
DownloadsMolfile
FormulaC10H17N7O9S
Net Charge0
Average Mass411.353
Monoisotopic Mass411.08085
SMILES[H][C@@]12NC(=N)N[C@]13N(C[C@@H](OS(=O)(=O)O)C3(O)O)C(=N)N(O)[C@H]2COC(N)=O
InChIInChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4+,5-,9-/m0/s1
InChIKeyCETRDCWBMBILAL-XXKOCQOQSA-N
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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.
neurotoxin  A poison that interferes with the functions of the nervous system.
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)
Gonyautoxin 1 (CHEBI:80768) has role marine metabolite (CHEBI:76507)
Gonyautoxin 1 (CHEBI:80768) is a organic heterotricyclic compound (CHEBI:26979)
Gonyautoxin 1 (CHEBI:80768) is a paralytic shellfish toxin (CHEBI:167564)
Manual XrefsDatabases
C16855KEGG COMPOUND
Registry NumbersSources
CAS:60748-39-2KEGG COMPOUND