Compound Identification
SMILES
O=C1CCC(=O)N1.OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
InChIKey
InChIKey=HVGAOLHAWVNIQU-UFLZEWODSA-N
Formula
C14H21N3O5S
Mass
343.4
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
Medium-chain fatty acids Thia fatty acids Heterocyclic fatty acids Pyrrolidine-2-ones Thiolanes Dicarboximides N-unsubstituted carboxylic acid imides Imidazolines Isoureas Lactams Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboxylic acids Carboximidamides Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
Biotin - Medium-chain fatty acid - Heterocyclic fatty acid - Thia fatty acid - Pyrrolidone - 2-pyrrolidone - Fatty acyl - Fatty acid - Carboxylic acid imide - Dicarboximide - 2-imidazoline - Carboxylic acid imide, n-unsubstituted - Pyrrolidine - Thiolane - Isourea - Lactam - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Dialkylthioether - Carboxylic acid - Thioether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aliphatic 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