CHEBI:172702 - Protogonyautoxin I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Protogonyautoxin I
ChEBI ID CHEBI:172702
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H17N7O11S2
Net Charge 0
Average Mass 475.400
Monoisotopic Mass 475.04275
InChI InChI=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)
InChIKey OKSSKVHGKYJNLL-UHFFFAOYSA-N
SMILES S(OC1C(O)(O)C23N(C1)C(=NC(C3N=C(N2)N)COC(=O)NS(O)(=O)=O)N)(O)(=O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). 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 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 Xrefs Databases
26502446 ChemSpider
HMDB0033511 HMDB
View more database links