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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Peptides
-
Level 6
Cyclic peptides
- Level 7 Amatoxins
-
Level 6
Cyclic peptides
-
Level 5
Peptides
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Oligopeptides Glutamine and derivatives Glutamic acid and derivatives Tetracarboxylic acids and derivatives N-acyl-L-alpha-amino acids Hippuric acids Alpha amino acid amides Pterins and derivatives Cysteine and derivatives 3-alkylindoles Aminobenzamides Hydroxyindoles Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Aminopyrimidines and derivatives Pyrimidones 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines Carbonic acid diesters Pyrazines Monosaccharides N-acyl amines Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Pyrrolidines Vinylogous amides Sulfoxides Lactams Amino acids Secondary carboxylic acid amides Primary carboxylic acid amides Dialkyldisulfides Secondary alcohols Polyols Sulfinyl compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Primary alcohols Hydrocarbon derivatives Primary amines Organic oxides Carbonyl compounds
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