Compound Identification
SMILES
NC(=O)OC[C@H]1[C@@H]2NC(N)=NC22N(C[C@@H](OS(O)(=O)=O)C2(O)O)C(=N)N1O
InChIKey
InChIKey=CETRDCWBMBILAL-ORQQJGPTSA-N
Formula
C10H17N7O9S
Mass
411.35
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 Sulfuric acid monoesters Alkyl sulfates Diazinanes N-hydroxyguanidines Pyrrolidines Carbamate esters Imidazolines Polyols Carboximidamides Carbonyl hydrates Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides Imines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - 1,3-diazinane - Sulfuric acid monoester - Sulfate-ester - N-hydroxyguanidine - Alkyl sulfate - Sulfuric acid ester - Carbamic acid ester - Pyrrolidine - 2-imidazoline - Organic sulfuric acid or derivatives - Guanidine - Azacycle - Carbonyl hydrate - Carboximidamide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Hydrocarbon derivative - Organonitrogen compound - Imine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - 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