Compound Identification
SMILES
CC(=O)C1=CC(COC(=O)CCCC[C@@H]2SCC3C2N(CC2=CC=CC(=C2)C(C)=O)C(=O)N3CC2=CC=CC(=C2)C(C)=O)=CC=C1
InChIKey
InChIKey=NSVGQOMHAZXAPH-PBRKIQJOSA-N
Formula
C37H40N2O6S
Mass
640.8
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
Alkyl-phenylketones Benzyloxycarbonyls Acetophenones Thienoimidazolidines Aryl alkyl ketones Benzoyl derivatives Fatty acid esters Imidazolidinones Thiophenes Thiolanes Ureas Tertiary amines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Biotin - Alkyl-phenylketone - Benzyloxycarbonyl - Acetophenone - Phenylketone - Benzoyl - Thienoimidazolidine - Aryl alkyl ketone - Aryl ketone - Fatty acid ester - Imidazolidinone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Imidazolidine - Thiolane - Thiophene - Carboxylic acid ester - Tertiary amine - Ketone - Urea - Amino acid or derivatives - Monocarboxylic acid or derivatives - Thioether - Dialkylthioether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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