Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CC3=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(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC3=CN=C4NC(N)=NC(=O)C4=N3)C=C1)C(O)=O)C(O)=O)C(=O)N2

InChIKey

InChIKey=FBUUULHVQWFHGB-XEHJEBCQSA-N

Formula

C107H154N26O50S3

Mass

2700.72

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 - Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Tetracarboxylic acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Pterin - Cysteine or derivatives - Hydroxyindole - Alpha-amino acid or derivatives - Pteridine - N-substituted-alpha-amino acid - Aminobenzamide - Aminobenzoic acid or derivatives - 3-alkylindole - Benzoic acid or derivatives - Benzamide - Indole or derivatives - Indole - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Phenol - Secondary aliphatic/aromatic amine - Pyrimidone - Aralkylamine - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - N-acyl-amine - Monosaccharide - Fatty acyl - Benzenoid - Fatty amide - Monocyclic benzene moiety - Pyrimidine - Pyrazine - Carbonic acid diester - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Pyrrolidine - Dialkyldisulfide - Amino acid - Amino acid or derivatives - Sulfoxide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Primary carboxylic acid amide - Lactam - Carbonic acid derivative - Organic disulfide - Azacycle - Sulfenyl compound - Carboxylic acid - Organoheterocyclic compound - Sulfinyl compound - Polyol - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Primary alcohol - Alcohol - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen 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