Structure Information
Structure

Compound Identification

SMILES

CO[C@@]12[C@@H]3N[C@@H]3CN1C1=C([C@@H]2COC(N)=O)C(=O)C(NC2=CC=C(S)C=C2)=C(C)C1=O

InChIKey

InChIKey=IDYGHCRZJFWISR-PGDDNOQISA-N

Formula

C21H22N4O5S

Mass

442.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolequinones

Intermediate Tree Nodes

Mitomycins, mitosane and mitosene derivatives

Direct Parent

Mitomycins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Mitomycin - Indole - Pyrrolizine - Quinone - Aniline or substituted anilines - Thiophenol - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Carbamic acid ester - Vinylogous amide - Pyrrolidine - Pyrroline - Ketone - Secondary amine - Azacycle - Arylthiol - Secondary aliphatic amine - Enamine - Aziridine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.

External Descriptors

Not available

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