Compound Identification
SMILES
CCC(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(O)=O)C(=O)N1CC(O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2
InChIKey
InChIKey=IEQCUEXVAPAFMQ-PHDJIWHFSA-N
Formula
C39H53N9O15S
Mass
919.96
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 3-alkylindoles Alpha amino acids and derivatives Hydroxyindoles 1-hydroxy-2-unsubstituted benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Pyrrolidines Secondary alcohols Lactams Secondary carboxylic acid amides Sulfoxides Monocarboxylic acids and derivatives Carboxylic acids Sulfinyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amatoxin skeleton - Alpha-oligopeptide - Alpha-amino acid or derivatives - Hydroxyindole - 3-alkylindole - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Sulfoxide - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Sulfinyl compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - 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