Compound Identification
SMILES
NC(=O)OC[C@@H]1N=C(NC(=O)C(Cl)(Cl)Cl)N2C[C@H](O)[C@H](O)[C@@]22N=C(NS(=O)(=O)OCC(Cl)(Cl)Cl)N[C@@H]12
InChIKey
InChIKey=USORYQHTROGMNP-HJBPFOTESA-N
Formula
C14H17Cl6N7O8S
Mass
656.09
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Saxitoxins, gonyautoxins, and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Saxitoxins, gonyautoxins, and derivatives
Alternative Parents
Alkaloids and derivatives Imidazopyrimidines Hydropyrimidines Carbamate esters Pyrrolidines Imidazolines Organic sulfuric acids and derivatives Secondary alcohols Guanidines 1,2-diols Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Alkyl chlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Alkaloid or derivatives - Imidazopyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 2-imidazoline - Organic sulfuric acid or derivatives - Pyrrolidine - Carbamic acid ester - 1,2-diol - Guanidine - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl chloride - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Carbonyl group - Aliphatic heteropolycyclic compound
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.
External Descriptors
Not available