CHEBI:34970 - saxitoxin

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ChEBI Name saxitoxin
ChEBI ID CHEBI:34970
Definition An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H17N7O4
Net Charge 0
Average Mass 299.28650
Monoisotopic Mass 299.13420
InChI InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/m0/s1
InChIKey RPQXVSUAYFXFJA-HGRQIUPRSA-N
SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12
Roles Classification
Biological Role(s): sodium channel blocker
An agent that inhibits sodium influx through cell membranes.
(via paralytic shellfish toxin )
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
(via paralytic shellfish toxin )
cyanotoxin
Any toxin produced by cyanobacteria (blue-green algae).
toxin
Poisonous substance produced by a biological organism such as a microbe, animal or plant.
(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 )
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ChEBI Ontology
Outgoing saxitoxin (CHEBI:34970) has role cyanotoxin (CHEBI:88048)
saxitoxin (CHEBI:34970) has role marine metabolite (CHEBI:76507)
saxitoxin (CHEBI:34970) has role neurotoxin (CHEBI:50910)
saxitoxin (CHEBI:34970) has role sodium channel blocker (CHEBI:38633)
saxitoxin (CHEBI:34970) has role toxin (CHEBI:27026)
saxitoxin (CHEBI:34970) is a alkaloid (CHEBI:22315)
saxitoxin (CHEBI:34970) is a carbamate ester (CHEBI:23003)
saxitoxin (CHEBI:34970) is a guanidines (CHEBI:24436)
saxitoxin (CHEBI:34970) is a ketone hydrate (CHEBI:63734)
saxitoxin (CHEBI:34970) is a paralytic shellfish toxin (CHEBI:167564)
saxitoxin (CHEBI:34970) is a pyrrolopurine (CHEBI:136861)
saxitoxin (CHEBI:34970) is conjugate base of saxitoxin(2+) (CHEBI:180458)
Incoming neosaxitoxin (CHEBI:167561) has functional parent saxitoxin (CHEBI:34970)
saxitoxin acetate (CHEBI:142400) has part saxitoxin (CHEBI:34970)
saxitoxin(2+) (CHEBI:180458) is conjugate acid of saxitoxin (CHEBI:34970)
IUPAC Name
[(3aS,4R,10aS)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Manual Xrefs Databases
34106 ChemSpider
C00051761 KNApSAcK
C13757 KEGG COMPOUND
FDB000437 FooDB
HMDB0029368 HMDB
Saxitoxin Wikipedia
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Registry Numbers Types Sources
35523-89-8 CAS Registry Number ChemIDplus
47858 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
20 April 2021