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CHEBI:133919 - decarbamoylsaxitoxin
| Formula | C9H16N6O3 |
| Net Charge | 0 |
| Average Mass | 256.266 |
| Monoisotopic Mass | 256.12839 |
| SMILES | [H][C@@]12NC(=N)N[C@]13N(CCC3(O)O)C(=N)N[C@H]2CO |
| InChI | InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)/t4-,5-,9-/m0/s1 |
| InChIKey | VRRIYZJUSNMZMP-PJPYAQQDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Acanthocardia tuberculata (ncbitaxon:385555) | - | PubMed (16192070) | |
| Alexandrium tamarense (ncbitaxon:2926) | - | PubMed (16544882) | |
| Aphanizomenon gracile (ncbitaxon:54296) | - | PubMed (20048055) | |
| Apis cerana (ncbitaxon:7461) | - | MetaboLights (MTBLS379) | |
| Aulacomya ater (ncbitaxon:373637) | - | PubMed (15019474) | |
| Cylindrospermopsis raciborskii (ncbitaxon:77022) | - | PubMed (12740803) | |
| Gymnodinium catenatum (ncbitaxon:39447) | - | PubMed (12924931) | |
| Microseira wollei (ncbitaxon:467598) | - | PubMed (22960450) | |
| Pao turgidus (ncbitaxon:1220761) | - | PubMed (17996918) |
| Roles Classification |
|---|
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. neurotoxin A poison that interferes with the functions of the nervous system. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. neurotoxin A poison that interferes with the functions of the nervous system. sodium channel blocker An agent that inhibits sodium influx through cell membranes. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| decarbamoylsaxitoxin (CHEBI:133919) has role bacterial metabolite (CHEBI:76969) |
| decarbamoylsaxitoxin (CHEBI:133919) has role marine metabolite (CHEBI:76507) |
| decarbamoylsaxitoxin (CHEBI:133919) has role neurotoxin (CHEBI:50910) |
| decarbamoylsaxitoxin (CHEBI:133919) has role toxin (CHEBI:27026) |
| decarbamoylsaxitoxin (CHEBI:133919) has role xenobiotic (CHEBI:35703) |
| decarbamoylsaxitoxin (CHEBI:133919) is a alkaloid (CHEBI:22315) |
| decarbamoylsaxitoxin (CHEBI:133919) is a guanidines (CHEBI:24436) |
| decarbamoylsaxitoxin (CHEBI:133919) is a ketone hydrate (CHEBI:63734) |
| decarbamoylsaxitoxin (CHEBI:133919) is a paralytic shellfish toxin (CHEBI:167564) |
| decarbamoylsaxitoxin (CHEBI:133919) is a primary alcohol (CHEBI:15734) |
| decarbamoylsaxitoxin (CHEBI:133919) is a pyrrolopurine (CHEBI:136861) |
| IUPAC Name |
|---|
| (3aS,4R,10aS)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H,8H-pyrrolo[1,2-c]purine-10,10-diol |
| Synonyms | Source |
|---|---|
| 4-(hydroxymethyl)-2,6-diimino-decahydropyrrolo[1,2-c]purine-10,10-diol | HMDB |
| Dcstx-saxitoxin | ChemIDplus |
| Decarbamylsaxitoxin | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 28574223 | ChemSpider |
| HMDB0038319 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1145725 | Reaxys |
| CAS:58911-04-9 | ChemIDplus |
| CAS:58911-04-9 | HMDB |
| Citations |
|---|