Compound Identification
SMILES
CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@H]2CC3=C(NC4=C3C=CC(O)=C4N3CCC(CCNC(=O)CCCCCNC(=O)C4CCC(CN5C(=O)C=CC5=O)CC4)CC3)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)CO)C(=O)N2
InChIKey
InChIKey=GIQJEBOJYGRXAK-PUFZELCCSA-N
Formula
C64H92N14O18S
Mass
1377.58
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 Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids Maleimides N-acyl amines N-substituted carboxylic acid imides Piperidines Tertiary carboxylic acid amides Dicarboximides Heteroaromatic compounds Pyrrolines Pyrroles Lactams Secondary alcohols Sulfoxides Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Sulfinyl compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amatoxin skeleton - Alpha-oligopeptide - Alpha-amino acid or derivatives - 3-alkylindole - Hydroxyindole - Indole or derivatives - Indole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Maleimide - Phenol - Fatty acyl - N-acyl-amine - Benzenoid - Carboxylic acid imide, n-substituted - Piperidine - Fatty amide - Dicarboximide - Carboxylic acid imide - Pyrrolidine - Tertiary carboxylic acid amide - Pyrroline - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Sulfoxide - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Carbonyl group - Organic nitrogen compound - Organic oxygen 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