Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridopyrimidines

Subclass

Cylindrospermopsins

Intermediate Tree Nodes

Not available

Direct Parent

Cylindrospermopsins

Alternative Parents

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

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