Compound Identification
SMILES
CCC(C)C1NC(=O)CNC(=O)C2CC3=C(NC4=C3C=CC(OCCCCCC(O)=O)=C4)S(=O)CC(NC(=O)CNC1=O)C(=O)NC(CC(N)=O)C(=O)N1CC(O)CC1C(=O)NC(C(C)C(O)CO)C(=O)N2
InChIKey
InChIKey=SXZMKSPNAQADIQ-UHFFFAOYSA-N
Formula
C45H64N10O16S
Mass
1033.12
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 Alpha amino acids and derivatives 3-alkylindoles Medium-chain fatty acids Hydroxy fatty acids Heterocyclic fatty acids Alkyl aryl ethers Benzenoids Tertiary carboxylic acid amides Pyrrolidines Pyrroles Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Lactams Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amatoxin skeleton - Alpha-oligopeptide - 3-alkylindole - Alpha-amino acid or derivatives - Indole or derivatives - Indole - Medium-chain fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Sulfoxide - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen 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