Compound Identification
SMILES
C[C@@H]1[C@@H]2CNC3N[C@@H](C[C@H](C[C@@H]1OS([O-])(=O)=O)[NH+]23)[C@@H](O)C1=CC(=O)NC(=O)N1
InChIKey
InChIKey=KMDOTOMOSCRTQE-MNPVCJBCSA-N
Formula
C15H23N5O7S
Mass
417.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridopyrimidines
- Subclass Cylindrospermopsins
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Class
Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Cylindrospermopsins
Intermediate Tree Nodes
Not available
Direct Parent
Cylindrospermopsins
Alternative Parents
Imidazopyrimidines Pyrimidones Sulfuric acid monoesters Pyridines and derivatives Piperidines N-acyl amines Hydropyrimidines Diazinanes Alkyl sulfates Vinylogous amides Imidazolidines Heteroaromatic compounds Dicarboximides Secondary alcohols Ortho amides Organic carbonic acids and derivatives Lactams Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cylindrospermopsin-skeleton - Imidazopyrimidine - Pyrimidone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Pyrimidine - Pyridine - Piperidine - N-acyl-amine - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - 1,3-diazinane - Heteroaromatic compound - Vinylogous amide - Organic sulfuric acid or derivatives - Imidazolidine - Dicarboximide - Secondary alcohol - Ortho amide - Carbonic acid derivative - Lactam - Amino acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cylindrospermopsins. These are compounds containing a cylindrospermopsin moiety, which contains a triazaacenaphthylene moiety linked to a pyrimidinedione.
External Descriptors
Not available