Compound Identification
SMILES
[K+].O[C@@H]1[C@@H](O)[C@H](O\C(=C/C2=CC=C([O-])C=C2)C(O)=O)O[C@H](\C=N/OCC2=C(OCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)C=C(C=C2)C2(N=N2)C(F)(F)F)[C@@H]1O
InChIKey
InChIKey=UHIZYQZAJMEPNN-XFFWUTDFSA-M
Formula
C40H48F3KN6O14S
Mass
965.01
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
Phenylpyruvic acid derivatives Cinnamic acids O-glycosyl compounds Phenol ethers Thienoimidazolidines Phenoxy compounds Phenoxides Alkyl aryl ethers N-acyl amines Monosaccharides Imidazolidinones Oxanes Thiophenes Thiolanes Oxime ethers Ureas Secondary carboxylic acid amides Secondary alcohols Acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Polyols Dialkyl ethers Dialkylthioethers Diazirines Organic metal halides Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Alkyl fluorides Organopnictogen compounds Organofluorides Organic zwitterions Hydrocarbon derivatives Organic oxides Organic potassium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biotin_derivative - Enol-phenylpyruvate - Cinnamic acid - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Phenoxy compound - Thienoimidazolidine - Phenol ether - Alkyl aryl ether - Phenoxide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Oxane - Imidazolidinone - N-acyl-amine - Monosaccharide - Fatty acyl - Imidazolidine - Thiolane - Thiophene - Urea - Oxime ether - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Acetal - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Diazirine - Ether - Oxacycle - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Polyol - Alkyl halide - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Alcohol - Organic potassium salt - Organic nitrogen compound - Organic salt - Alkyl fluoride - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - 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