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CHEBI:167561 - neosaxitoxin
| Formula | C10H17N7O5 |
| Net Charge | 0 |
| Average Mass | 315.290 |
| Monoisotopic Mass | 315.12912 |
| SMILES | [H][C@@]12NC(N)=N[C@]13N(CCC3(O)O)C(=N)N(O)[C@H]2COC(N)=O |
| InChI | InChI=1S/C10H17N7O5/c11-6-14-5-4(3-22-8(13)18)17(21)7(12)16-2-1-9(19,20)10(5,16)15-6/h4-5,12,19-21H,1-3H2,(H2,13,18)(H3,11,14,15)/t4-,5-,10-/m0/s1 |
| InChIKey | PPEKGEBBBBNZKS-HGRQIUPRSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aphanizomenon sp. NH-5 (ncbitaxon:190592) | - | PubMed (19331657) | |
| Cylindrospermopsis raciborskii T3 (ncbitaxon:398006) | - | PubMed (18487408) | GenBank: DQ787200.1 |
| Heteroscytonema crispum (ncbitaxon:439476) | |||
| - | PubMed (30296060) | Strain: CAWBG524 | |
| - | PubMed (30296060) | Strain: CAWBG72 |
| Roles Classification |
|---|
| Biological Roles: | cyanotoxin Any toxin produced by cyanobacteria (blue-green algae). voltage-gated sodium channel blocker Any sodium channel blocker that interferes with the activity of voltage-gated sodium channels. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. neurotoxin A poison that interferes with the functions of the nervous system. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. neurotoxin A poison that interferes with the functions of the nervous system. sodium channel blocker An agent that inhibits sodium influx through cell membranes. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. local anaesthetic Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| neosaxitoxin (CHEBI:167561) has functional parent saxitoxin (CHEBI:34970) |
| neosaxitoxin (CHEBI:167561) has role anti-inflammatory agent (CHEBI:67079) |
| neosaxitoxin (CHEBI:167561) has role cyanotoxin (CHEBI:88048) |
| neosaxitoxin (CHEBI:167561) has role local anaesthetic (CHEBI:36333) |
| neosaxitoxin (CHEBI:167561) has role marine metabolite (CHEBI:76507) |
| neosaxitoxin (CHEBI:167561) has role neurotoxin (CHEBI:50910) |
| neosaxitoxin (CHEBI:167561) has role toxin (CHEBI:27026) |
| neosaxitoxin (CHEBI:167561) has role voltage-gated sodium channel blocker (CHEBI:38634) |
| neosaxitoxin (CHEBI:167561) is a alkaloid (CHEBI:22315) |
| neosaxitoxin (CHEBI:167561) is a carbamate ester (CHEBI:23003) |
| neosaxitoxin (CHEBI:167561) is a guanidines (CHEBI:24436) |
| neosaxitoxin (CHEBI:167561) is a hydroxylamines (CHEBI:24709) |
| neosaxitoxin (CHEBI:167561) is a ketone hydrate (CHEBI:63734) |
| neosaxitoxin (CHEBI:167561) is a paralytic shellfish toxin (CHEBI:167564) |
| neosaxitoxin (CHEBI:167561) is a pyrrolopurine (CHEBI:136861) |
| IUPAC Name |
|---|
| [(3aS,4R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-3a,4,5,6,9,10-hexahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate |
| Synonyms | Source |
|---|---|
| [(3aS,4R,10aS)-5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | ChEBI |
| neosaxitoxina | SUBMITTER |
| NeoSTX | ChemIDplus |
| NSTX | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| 19975931 | ChemSpider |
| C17208 | KEGG COMPOUND |
| DB12989 | DrugBank |
| FDB000438 | FooDB |
| HMDB0029369 | HMDB |
| Neosaxitoxin | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:64296-20-4 | ChemIDplus |
| Citations |
|---|