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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolequinones
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Level 5
Mitomycins, mitosane and mitosene derivatives
- Level 6 Mitomycins
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Level 5
Mitomycins, mitosane and mitosene derivatives
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Subclass
Indolequinones
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
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
Dipeptides Gamma-glutamyl amino acids Glutamine and derivatives Hippuric acids N-acyl-alpha amino acids Cysteine and derivatives Pterins and derivatives Aminobenzamides Indoles Benzoyl derivatives Pyrrolizines Aniline and substituted anilines Phenylalkylamines Quinones Pyrimidones Secondary alkylarylamines Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Pyrazines Piperazines N-acyl amines Heteroaromatic compounds Pyrrolidines Carbamate esters Pyrrolines Vinylogous amides Secondary carboxylic acid amides Dialkyldisulfides Amino acids Azacyclic compounds Aziridines Sulfenyl compounds Enamines Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Primary amines Organopnictogen compounds
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