Structure Information
Structure

Compound Identification

SMILES

CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(NCCSSC[C@@H](NC(=O)CC[C@@H](NC(=O)C2=CC=C(NCC3=CN=C4NC(N)=NC(=O)C4=N3)C=C2)C(O)=O)C(O)=O)=C(C)C1=O

InChIKey

InChIKey=OMQDMFCPGRNGJV-ONQRSATNSA-N

Formula

C39H44N12O12S2

Mass

936.97

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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

Alpha-dipeptide - Mitomycin - Gamma-glutamyl alpha-amino acid - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Pterin - Cysteine or derivatives - Aminobenzoic acid or derivatives - Aminobenzamide - Alpha-amino acid or derivatives - Pteridine - Benzamide - Indole - Benzoic acid or derivatives - Pyrrolizine - Phenylalkylamine - Aniline or substituted anilines - Quinone - Benzoyl - Aminopyrimidine - Aralkylamine - Pyrimidone - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,4-diazinane - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Benzenoid - N-acyl-amine - Piperazine - Pyrazine - Pyrimidine - Pyrrolidine - Carbamic acid ester - Pyrroline - Vinylogous amide - Heteroaromatic compound - Organic disulfide - Amino acid - Secondary carboxylic acid amide - Ketone - Dialkyldisulfide - Carboxamide group - Amino acid or derivatives - Sulfenyl compound - Secondary amine - Aziridine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Enamine - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organonitrogen compound - Organic oxide - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - 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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