CHEBI:80768 - Gonyautoxin 1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gonyautoxin 1
ChEBI ID CHEBI:80768
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H17N7O9S
Net Charge 0
Average Mass 411.34800
Monoisotopic Mass 411.08085
InChI InChI=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
InChIKey CETRDCWBMBILAL-XXKOCQOQSA-N
SMILES NC(=O)OC[C@H]1[C@@H]2NC(=N)N[C@]22N(C[C@@H](OS(O)(=O)=O)C2(O)O)C(=N)N1O
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Gonyautoxin 1 (CHEBI:80768) has role marine metabolite (CHEBI:76507)
Gonyautoxin 1 (CHEBI:80768) is a organic heterotricyclic compound (CHEBI:26979)
Manual Xref Database
C16855 KEGG COMPOUND
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Registry Number Type Source
60748-39-2 CAS Registry Number KEGG COMPOUND