Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SPCVCNJNPCFLJM-KCZBXKJOSA-N

Formula

C16H21N3O6S3

Mass

447.54

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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 - Cysteine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Indole or derivatives - N-methylpiperazine - N-alkylpiperazine - Dithiazinane - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid - Organic disulfide - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Lactam - Carboxamide group - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Primary alcohol - Primary amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Primary aliphatic amine - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - 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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