Structure Information
Structure

Compound Identification

SMILES

CO[C@]12C3NC3CN1C1=C(C2COC(N)=O)C(=O)C(NCCC(O)=O)=C(C)C1=O

InChIKey

InChIKey=KNFLRCYZMRELKO-CBUHOIOFSA-N

Formula

C18H22N4O7

Mass

406.395

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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

Aliphatic heteropolycyclic compounds

Substituents

Mitomycin - Beta amino acid or derivatives - Indole - Quinone - Pyrrolizine - 1,4-diazinane - Piperazine - Vinylogous amide - Carbamic acid ester - Pyrroline - Pyrrolidine - Amino acid or derivatives - Amino acid - Ketone - Tertiary amine - Aziridine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Azacycle - Secondary amine - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aliphatic 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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