Structure Information
Structure

Compound Identification

SMILES

CCNC1=C(C)C(=O)C2=C([C@@H](COC(N)=O)[C@@]3(OC)C4NC4CN23)C1=O

InChIKey

InChIKey=WXANZYJDRSMLFO-QNTWZPOASA-N

Formula

C17H22N4O5

Mass

362.386

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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 - Indole - Pyrrolizine - Quinone - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Carbamic acid ester - Vinylogous amide - Ketone - Carbonic acid derivative - Aziridine - Secondary amine - Azacycle - Secondary aliphatic amine - Enamine - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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