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CHEBI:214678 - Gonyautoxin-4

ChEBI IDCHEBI:214678
ChEBI NameGonyautoxin-4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O9S
Net Charge0
Average Mass411.353
Monoisotopic Mass411.08085
SMILESN=C1N(O)[C@@H](COC(N)=O)[C@@H]2N=C(N)N[C@]23N1C[C@H](OS(=O)(=O)O)C3(O)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-LJRZAWCWSA-N
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
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
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34998014ChemSpider