CHEBI:80769 - Gonyautoxin 2

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ChEBI Name Gonyautoxin 2
ChEBI ID CHEBI:80769
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H17N7O8S
Net Charge 0
Average Mass 395.34900
Monoisotopic Mass 395.086
InChI InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4+,5-,9-/m0/s1
InChIKey ARSXTTJGWGCRRR-XXKOCQOQSA-N
SMILES NC(=O)OC[C@@H]1NC(=N)N2C[C@@H](OS(O)(=O)=O)C(O)(O)[C@@]22NC(=N)N[C@@H]12
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing Gonyautoxin 2 (CHEBI:80769) has role marine metabolite (CHEBI:76507)
Gonyautoxin 2 (CHEBI:80769) is a organic heterotricyclic compound (CHEBI:26979)
Database Link Database
C16856 KEGG COMPOUND
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Registry Number Type Source
60508-89-6 CAS Registry Number KEGG COMPOUND