Compound Identification
SMILES
O=C(CCCCC1SCC2NC(=O)NC12)NCCCCCC(=O)OC1=CC=C(CC(=O)ON2C(=O)CCC2=O)C=C1
InChIKey
InChIKey=XOQZGRUKPCANAL-UHFFFAOYSA-N
Formula
C28H36N4O8S
Mass
588.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Biotin and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Biotin and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Biotin and derivatives
Alternative Parents
Phenol esters Phenoxy compounds Thienoimidazolidines Fatty acid esters Dicarboxylic acids and derivatives Imidazolidinones N-acyl amines Pyrrolidine-2-ones Dicarboximides Thiophenes Thiolanes Carboxylic acid esters Lactams Ureas Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Phenol ester - Phenoxy compound - Thienoimidazolidine - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Imidazolidinone - N-acyl-amine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Fatty acyl - Dicarboximide - Thiophene - Thiolane - Imidazolidine - Pyrrolidine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Lactam - Urea - Carboxylic acid derivative - Azacycle - Dialkylthioether - Thioether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
External Descriptors
Not available