Compound Identification
SMILES
CC(=O)NC[C@H]1[C@@H]2N=C(NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@@]22[C@@H](O)CCN2\C(=N/C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C
InChIKey
InChIKey=ZMFNLJNUBAXLQW-CCBSZRCISA-N
Formula
C31H51N7O10
Mass
681.788
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 Diazinanes Pyrrolidines Acetamides Imidazolines Carbamate esters Secondary carboxylic acid amides Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - 1,3-diazinane - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonyl group - Imine - Organic oxygen compound - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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