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)CO)C(=O)N2
InChIKey
InChIKey=CIORWBWIBBPXCG-XYJGPTGDSA-N
Formula
C39H54N10O14S
Mass
918.98
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
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Level 6
Cyclic peptides
- Level 7 Amatoxins
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Level 6
Cyclic peptides
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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 Primary carboxylic acid amides Sulfinyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amatoxin skeleton - Alpha-oligopeptide - Alpha-amino acid or derivatives - 3-alkylindole - Hydroxyindole - Indole or derivatives - Indole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Lactam - Carboxamide group - Primary carboxylic acid amide - Sulfoxide - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Primary 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