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=NC(C)=CS2)=C(C)C1=O

InChIKey

InChIKey=GJMYQLAUNLWMMV-ATEKAGDGSA-N

Formula

C19H21N5O5S

Mass

431.47

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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 - 2,4-disubstituted 1,3-thiazole - 1,4-diazinane - Piperazine - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Pyrrolidine - Pyrroline - Vinylogous amide - Thiazole - Carbamic acid ester - Ketone - Enamine - Aziridine - Azacycle - Secondary amine - Secondary aliphatic amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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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