Structure Information
Structure

Compound Identification

SMILES

CCC(C)[C@H]1NC(=O)CNC(=O)C2CC3=C(NC4=C3C=CC(O)=C4)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@H](C)[C@@H](O)COC(=O)OCCSSC[C@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC)C(O)=O)C(=O)N2

InChIKey

InChIKey=KBAMLZPBGVZHLF-OKWONAHZSA-N

Formula

C57H85N13O25S3

Mass

1448.55

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Peptides - Cyclic peptides

Direct Parent

Amatoxins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Amatoxin skeleton - Alpha-oligopeptide - Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Hydroxyindole - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-acyl-amine - Fatty acyl - Benzenoid - Monosaccharide - Carbonic acid diester - Fatty amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Sulfoxide - Lactam - Amino acid or derivatives - Amino acid - Dialkyldisulfide - Carbonic acid derivative - Organic disulfide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Sulfinyl compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Polyol - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as amatoxins. These are cyclic peptides containing eight amino acid residues arranged in a macrobicyclic motif.

External Descriptors

Not available

Previous Back Next