Compound Identification
SMILES
NC1=[NH+]C23[C@@H](N1)[C@H](CC(=O)ONS([O-])(=O)=O)N=C(N)N2C[C@@H](OS(O)(O)O)C3(O)O
InChIKey
InChIKey=CWZOGGCZXBIGOV-MPWJDEBYSA-N
Formula
C10H19N7O11S2
Mass
477.42
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
Imidazopyrimidines Hydropyrimidines Pyrrolidines Organic sulfuric acids and derivatives Imidazolines Tertiary amines Amino acids and derivatives Guanidines 1,1-diols Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl hydrates Carboximidamides Monocarboxylic acids and derivatives Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 2-imidazoline - Organic sulfuric acid or derivatives - Pyrrolidine - Amino acid or derivatives - Guanidine - Tertiary amine - Carbonyl hydrate - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - 1,1-diol - Polyol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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