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(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)C(O)COC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC)C(O)=O)C(=O)N2
InChIKey
InChIKey=CGLIKBLWQIOQEL-APMKKZGXSA-N
Formula
C60H87N17O25S3
Mass
1542.63
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
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Subclass
Amino acids, peptides, and analogues
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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 Aspartic acid and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Cysteine and derivatives 3-alkylindoles Hydroxyindoles Tricarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Carbonic acid diesters N-acyl amines Tertiary carboxylic acid amides Pyrrolidines Pyrroles Heteroaromatic compounds Sulfoxides Amino acids Secondary carboxylic acid amides Secondary alcohols Dialkyldisulfides Guanidines Primary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Dialkylamines Sulfenyl compounds Azacyclic compounds Sulfinyl compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amatoxin skeleton - Alpha-oligopeptide - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Hydroxyindole - Tricarboxylic acid or derivatives - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - Benzenoid - Carbonic acid diester - Fatty acyl - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Amino acid - Guanidine - Lactam - Dialkyldisulfide - Carbonic acid derivative - Organic disulfide - Primary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Sulfoxide - Sulfinyl compound - Secondary aliphatic amine - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Azacycle - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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