Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)C1CC(=O)N(OC(=O)CCSSCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)NC(=O)CCCCCNC(=O)C2=C(F)C(F)=C(N=[N+]=[N-])C(F)=C2F)C1=O

InChIKey

InChIKey=HOQUBQBDRPOGRN-MCNDOGMSSA-N

Formula

C44H61F4N11O13S4

Mass

1156.27

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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 - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenylazide - Thienoimidazolidine - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - N-acyl-amine - Aryl fluoride - Fatty amide - Aryl halide - Pyrrolidone - 2-pyrrolidone - Imidazolidinone - Fatty acyl - Vinylogous halide - Dicarboximide - Thiophene - Thiolane - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Pyrrolidine - Imidazolidine - Urea - Azo compound - Dialkyldisulfide - Azo imide - Lactam - Organic disulfide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic cation - 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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