CHEBI:214678 - Gonyautoxin-4

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Gonyautoxin-4
ChEBI ID CHEBI:214678
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H17N7O9S
Net Charge 0
Average Mass 411.350
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-LJRZAWCWSA-N
SMILES S(=O)(=O)(O[C@@H]1C(O)(O)[C@]23NC(N)=N[C@H]2[C@H](COC(=O)N)N(C(N3C1)=N)O)O
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-4 (CHEBI:214678) has role marine metabolite (CHEBI:76507)
Gonyautoxin-4 (CHEBI:214678) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
[(3aS,4R,9S,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Manual Xref Database
34998014 ChemSpider
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