Compound Identification
SMILES
NCCCCCCNC(=O)OCC1N=C(N)N2CC[C@H](O)[C@@]22NC(N)=N[C@@H]12
InChIKey
InChIKey=SSMBIECTWWLMKI-LICYYNRDSA-N
Formula
C16H30N8O3
Mass
382.469
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 Carbamate esters Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Secondary alcohol - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - 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