Compound Identification
SMILES
NC1=N[C@H]2[C@H](COC(=O)NCCNC(=O)CCN3C(=O)C=CC3=O)N=C(N)N3CC[C@H](O)[C@]23N1
InChIKey
InChIKey=ZIVVZEYYBOIUGF-GPDVDHJRSA-N
Formula
C19H27N9O6
Mass
477.482
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 Maleimides Hydropyrimidines N-substituted carboxylic acid imides Pyrrolines Imidazolines Dicarboximides Carbamate esters Secondary alcohols Secondary carboxylic acid amides Guanidines Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Amines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Alkaloid or derivatives - Imidazopyrimidine - Maleimide - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - 2-imidazoline - Pyrrolidine - Pyrroline - Carbamic acid ester - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Secondary alcohol - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Carbonyl group - 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