Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(O)=O)C(O)=O

InChIKey

InChIKey=JJWXOJQKTMHGLL-CQCRDEEPSA-N

Formula

C41H72N6O18S

Mass

969.11

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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

Aliphatic heteropolycyclic compounds

Substituents

Biotin_derivative - Glutamic acid or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-carbamoyl-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Thienoimidazolidine - Imidazolidinone - Fatty acyl - N-acyl-amine - Fatty amide - Imidazolidine - Thiophene - Thiolane - Urea - Carbonic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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

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