Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next