Compound Identification
SMILES
NC1=NC2C(CO)N=C(N)N3CCC(O)C23N1
InChIKey
InChIKey=AIOWIOMRQZYDEM-UHFFFAOYSA-N
Formula
C9H16N6O2
Mass
240.267
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 Alkaloids and derivatives Hydropyrimidines Pyrrolidines Imidazolines Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Primary alcohols Hydrocarbon derivatives Amines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 2-imidazoline - Pyrrolidine - Secondary alcohol - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - 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