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CHEBI:172702 - Protogonyautoxin I

ChEBI IDCHEBI:172702
ChEBI NameProtogonyautoxin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H17N7O11S2
Net Charge0
Average Mass475.418
Monoisotopic Mass475.04275
SMILESNC1=NC2C(COC(=O)NS(=O)(=O)O)N=C(N)N3CC(OS(=O)(=O)O)C(O)(O)C23N1
InChIInChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)
InChIKeyOKSSKVHGKYJNLL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
Protogonyautoxin I (CHEBI:172702) has role marine metabolite (CHEBI:76507)
Protogonyautoxin I (CHEBI:172702) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(2,6-diamino-10,10-dihydroxy-9-sulooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methoxycarbonylsulamic acid
Manual XrefsDatabases
HMDB0033511HMDB
26502446ChemSpider