Compound Identification
SMILES
ClC1=C(OCCC2=CC=CC=C2)OC(=O)C2=C1C=CC(NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]13)=C2
InChIKey
InChIKey=BBAZXJVDSUZJQP-JCGRVDTESA-N
Formula
C33H39ClN4O6S
Mass
655.21
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
Isocoumarins and derivatives 2-benzopyrans Thienoimidazolidines N-arylamides Pyranones and derivatives Alkyl aryl ethers Aryl chlorides N-acyl amines Imidazolidinones Benzene and substituted derivatives Thiophenes Thiolanes Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Dialkylthioethers Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Isocoumarin - Benzopyran - 2-benzopyran - Thienoimidazolidine - N-arylamide - Alkyl aryl ether - Pyranone - N-acyl-amine - Aryl chloride - Imidazolidinone - Aryl halide - Pyran - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Imidazolidine - Thiolane - Thiophene - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Azacycle - Dialkylthioether - Carboxylic acid derivative - Ether - Thioether - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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