| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-11 22:53:05 UTC |
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| Updated at | 2024-09-11 22:53:05 UTC |
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| NP-MRD ID | NP0339650 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | OWPNZRSEHXXIHR-UHFFFAOYSA-N |
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| Description | OWPNZRSEHXXIHR-UHFFFAOYSA-N belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton. Based on a literature review very few articles have been published on OWPNZRSEHXXIHR-UHFFFAOYSA-N. |
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| Structure | OC1CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC23C1(O)O InChI=1/C10H17N7O8S/c11-6-14-5-3(2-25-8(19)16-26(22,23)24)13-7(12)17-1-4(18)10(20,21)9(5,17)15-6/h3-5,18,20-21H,1-2H2,(H2,12,13)(H,16,19)(H3,11,14,15)(H,22,23,24) |
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| Synonyms | Not Available |
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| Chemical Formula | C10H17N7O8S |
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| Average Mass | 395.3500 Da |
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| Monoisotopic Mass | 395.08593 Da |
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| IUPAC Name | 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-9,10,10-triol |
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| Traditional Name | 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydro-1H-pyrrolo[1,2-c]purine-9,10,10-triol |
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| CAS Registry Number | Not Available |
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| SMILES | OC1CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC23C1(O)O |
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| InChI Identifier | InChI=1/C10H17N7O8S/c11-6-14-5-3(2-25-8(19)16-26(22,23)24)13-7(12)17-1-4(18)10(20,21)9(5,17)15-6/h3-5,18,20-21H,1-2H2,(H2,12,13)(H,16,19)(H3,11,14,15)(H,22,23,24) |
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| InChI Key | OWPNZRSEHXXIHR-UHFFFAOYNA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton. |
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| Kingdom | Organic compounds |
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| Super Class | Phenylpropanoids and polyketides |
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| Class | Saxitoxins, gonyautoxins, and derivatives |
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| Sub Class | Not Available |
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| Direct Parent | Saxitoxins, gonyautoxins, and derivatives |
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| Alternative Parents | |
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| Substituents | - Saxitoxin-gonyautoxin skeleton
- Imidazopyrimidine
- Alkaloid or derivatives
- 1,3-diazinane
- Imidazolidine
- Organic sulfuric acid or derivatives
- Pyrrolidine
- Guanidine
- Carbonic acid derivative
- Secondary alcohol
- Azacycle
- Carbonyl hydrate
- Organoheterocyclic compound
- Carboximidamide
- Polyol
- Hydrocarbon derivative
- Imine
- Organic oxygen compound
- Alcohol
- Organic oxide
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Carbonyl group
- Organopnictogen compound
- Aliphatic heteropolycyclic compound
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| Molecular Framework | Aliphatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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