Compound Identification
SMILES
OC(=O)C(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC1=CC2=C(OC1=O)C(O)=C1OC=CC1=C2
InChIKey
InChIKey=FWBRQUWHXNPRMA-NIVVRJPPSA-N
Formula
C26H31N3O7S
Mass
529.61
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
8-hydroxypsoralens 1-benzopyrans Alpha amino acids Benzofurans Thienoimidazolidines Medium-chain fatty acids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Thia fatty acids Heterocyclic fatty acids Hydroxy fatty acids Pyranones and derivatives Imidazolidinones Thiophenes Thiolanes Heteroaromatic compounds Furans Ureas Lactones Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Carboxylic acids Dialkylamines Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
8-hydroxypsoralen - Biotin_derivative - Biotin - Furanocoumarin - Linear furanocoumarin - Psoralen - Coumarin - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Benzofuran - Thienoimidazolidine - Medium-chain fatty acid - 1-hydroxy-4-unsubstituted benzenoid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Pyranone - Thia fatty acid - Aralkylamine - Benzenoid - Pyran - Fatty acid - Imidazolidinone - Fatty acyl - Heteroaromatic compound - Furan - Thiolane - Imidazolidine - Thiophene - Amino acid - Amino acid or derivatives - Urea - Lactone - Thioether - Secondary amine - Azacycle - Secondary aliphatic amine - Oxacycle - Dialkylthioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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