Decarbamoylgonyautoxin III (CHEBI:166661)

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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	Decarbamoylgonyautoxin III

ChEBI ID	CHEBI:166661

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16N6O7S

Net Charge

Average Mass

352.320

Monoisotopic Mass

352.08012

InChI

InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)

InChIKey

AJLCXXKDNUGKKH-UHFFFAOYSA-N

SMILES

S(OC1C(O)(O)C23N(C1)C(=NC(C3N=C(N2)N)CO)N)(O)(=O)=O

Roles Classification
Biological Role(s):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. (via paralytic shellfish toxin ) toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. (via paralytic shellfish toxin ) sodium channel blocker An agent that inhibits sodium influx through cell membranes. (via paralytic shellfish toxin ) neurotoxin A poison that interferes with the functions of the nervous system. (via paralytic shellfish toxin ) metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	Decarbamoylgonyautoxin III (CHEBI:166661) has role marine metabolite (CHEBI:76507) Decarbamoylgonyautoxin III (CHEBI:166661) is a organic heterotricyclic compound (CHEBI:26979) Decarbamoylgonyautoxin III (CHEBI:166661) is a paralytic shellfish toxin (CHEBI:167564)

IUPAC Name

[2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] hydrogen sulate