CHEBI:191705 - Gonyautoxin I

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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 I
ChEBI ID CHEBI:191705
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)
InChIKey CETRDCWBMBILAL-UHFFFAOYSA-N
SMILES S(OC1C(O)(O)C23N(C1)C(N(O)C(C3N=C(N2)N)COC(=O)N)=N)(O)(=O)=O
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
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 I (CHEBI:191705) has role marine metabolite (CHEBI:76507)
Gonyautoxin I (CHEBI:191705) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name
(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 Xrefs Databases
35013616 ChemSpider
HMDB0033508 HMDB
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