Compound Identification
SMILES
CC(C)NC(=O)OC[C@@H]1N=C(N)N2CC[C@@](C)(O)[C@@]22[C@@H]1N[C@@H](N)N2O
InChIKey
InChIKey=KOZGXTIYLTXYDW-YMJHMOKSSA-N
Formula
C14H27N7O4
Mass
357.415
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 Tertiary alcohols Pyrrolidines Carbamate esters Imidazolidines Orthocarboxylic acid derivatives Guanidines Ortho amides Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds N-organohydroxylamines Hydrocarbon derivatives Amines Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidazolidine - Pyrrolidine - Tertiary alcohol - Carbamic acid ester - Orthocarboxylic acid derivative - Ortho amide - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - N-organohydroxylamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carbonyl group - Organonitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - 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