Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCCNC(=O)OC[C@@H]1N=C(N)N2CCC(O)(O)[C@@]22N=C(N)N[C@@H]12
InChIKey
InChIKey=QFXZLIOYLYKMGA-OFIZRAQRSA-N
Formula
C21H33F6N7O8
Mass
625.526
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 Hydropyrimidines Pyrrolidines Alpha-halocarboxylic acids Carbamate esters Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Carbonyl hydrates Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Amines Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Saxitoxin-gonyautoxin skeleton - Alkaloid or derivatives - Imidazopyrimidine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Guanidine - Carbonyl hydrate - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic oxygen compound - Amine - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - 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