| Identification |
|---|
| Common Name | M1 |
|---|
| Class | Small Molecule |
|---|
| Description | Not Available |
|---|
| Contaminant Sources | |
|---|
| Contaminant Type | |
|---|
| Chemical Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| N-SulfO({9,10,10-trihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-4-yl}methoxy)carboximidate | Generator | | N-SulphO({9,10,10-trihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-4-yl}methoxy)carboximidate | Generator | | N-SulphO({9,10,10-trihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-4-yl}methoxy)carboximidic acid | Generator |
|
|---|
| Chemical Formula | C10H17N7O8S |
|---|
| Average Molecular Mass | 395.350 g/mol |
|---|
| Monoisotopic Mass | 395.086 g/mol |
|---|
| CAS Registry Number | Not Available |
|---|
| IUPAC Name | 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-9,10,10-triol |
|---|
| Traditional Name | 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydro-1H-pyrrolo[1,2-c]purine-9,10,10-triol |
|---|
| SMILES | OC1CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC23C1(O)O |
|---|
| InChI Identifier | InChI=1S/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) |
|---|
| InChI Key | OWPNZRSEHXXIHR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Phenylpropanoids and polyketides |
|---|
| Class | Saxitoxins, gonyautoxins, and derivatives |
|---|
| Sub Class | Not Available |
|---|
| Direct Parent | Saxitoxins, gonyautoxins, and derivatives |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aliphatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
