Structure Information
Structure

Compound Identification

SMILES

CC1(C\C=C\CCCCCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)OC2=C(C=C1)C1=C(C=C2)C2=C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C(C)(C)C2=[N+]1[O-]

InChIKey

InChIKey=ZGDIZBNHOFDKIC-BKQLCXSESA-N

Formula

C46H59N5O7S

Mass

826.07

Export to:

JSON SDF CSV

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 - Biotin_derivative - Isoquinolone - Benzopyran - Alpha-amino acid or derivatives - 1-benzopyran - Azaspirodecane - Indole or derivatives - Indolizidine - Dioxopiperazine - 2,5-dioxopiperazine - Thienoimidazolidine - Alkyl aryl ether - Delta-lactam - Fatty acid ester - N-alkylpiperazine - Piperidinone - Fatty acyl - 1,4-diazinane - Imidazolidinone - Piperazine - Piperidine - Benzenoid - Pyrrolidine - Thiophene - Thiolane - Tertiary carboxylic acid amide - Imidazolidine - Secondary carboxylic acid amide - Urea - Carboxamide group - Nitrone - Carboxylic acid ester - Lactam - Oxacycle - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Dialkylthioether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - 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

Previous Back Next