Compound Identification
SMILES
COC1CC(CC(C)C2CC(=O)C(C)\C=C(C)\[C@@H](O)C(OC)C(=O)[C@H](C)CC(C)\C=C/C=C/C=C(C)/C(CC3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)NC(CCS(C)=O)C(O)=O
InChIKey
InChIKey=PRNJIEQOOJSYOE-GWYQYXNXSA-N
Formula
C57H88N2O17S
Mass
1105.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Macrolide lactams
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolide lactams
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macrolide lactams
Alternative Parents
Alpha amino acid esters Macrolides and analogues Thia fatty acids Heterocyclic fatty acids Hydroxy fatty acids Dicarboxylic acids and derivatives Piperidines Oxanes Tertiary carboxylic acid amides Carbamate esters Sulfoxides Carboxylic acid esters Cyclic ketones Secondary alcohols Hemiacetals Lactams Lactones Azacyclic compounds Carboxylic acids Oxacyclic compounds Sulfinyl compounds Dialkyl ethers Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Macrolide lactam - Alpha-amino acid ester - Macrolide - Alpha-amino acid or derivatives - Heterocyclic fatty acid - Hydroxy fatty acid - Thia fatty acid - Dicarboxylic acid or derivatives - Oxane - Fatty acyl - Piperidine - Tertiary carboxylic acid amide - Carbamic acid ester - Sulfoxide - Secondary alcohol - Cyclic ketone - Hemiacetal - Ketone - Lactam - Lactone - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as macrolide lactams. These are cyclic polyketides containing both a cyclic amide and a cyclic ester group.
External Descriptors
Not available