Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)NC(=O)C1=CC=C(C=C1)N1N=C(C2=CC=CC=C12)C1=CC=C(C=C1)C(=O)OCC=C

InChIKey

InChIKey=MCJVYTFJAWQPHA-MGFLSCNBSA-N

Formula

C40H44N6O7S

Mass

752.89

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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 - N-acyl-alpha amino acid or derivatives - Hippuric acid - Hippuric acid or derivatives - Phenylpyrazole - Alpha-amino acid or derivatives - Benzoate ester - Benzamide - Indazole - Benzoic acid or derivatives - Benzopyrazole - Thienoimidazolidine - Benzoyl - Medium-chain fatty acid - Heterocyclic fatty acid - Fatty acyl - Monocyclic benzene moiety - Imidazolidinone - N-acyl-amine - Fatty amide - Benzenoid - Azole - Heteroaromatic compound - Thiophene - Thiolane - Imidazolidine - Pyrazole - Secondary carboxylic acid amide - Urea - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Carboxylic acid - Thioether - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen 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

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