Structure Information
Structure

Compound Identification

SMILES

NC(CCCC(O)=O)C(O)=O.CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3

InChIKey

InChIKey=JLNZCWFIEKYAOX-NNYAVFDSSA-N

Formula

C19H25N3O8S2

Mass

487.54

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Dioxopiperazines - 2,5-dioxopiperazines - Thiodioxopiperazines - Epipolythiodioxopiperazines

Direct Parent

Gliotoxins

Alternative Parents

Molecular Framework

Not available

Substituents

Gliotoxin-skeleton - Alpha-amino acid - Alpha-amino acid or derivatives - Indole or derivatives - Medium-chain fatty acid - N-methylpiperazine - N-alkylpiperazine - Amino fatty acid - Fatty acid - Dicarboxylic acid or derivatives - Dithiazinane - Fatty acyl - Tertiary carboxylic acid amide - Pyrrolidine - Lactam - Organic disulfide - Amino acid - Tertiary amine - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Primary alcohol - Primary amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gliotoxins. These are polycyclic compounds containing the gliotoxin skeleton, which is structurally characterized by a epipolythiodioxopiperazine moiety fused to the pyrrolidine ring of an indol-7-ol derivative.

External Descriptors

Not available

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