Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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