Structure Information
Structure

Compound Identification

SMILES

OCC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccc(cc2)-c2cn(CCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@@H]34)nn2)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)Cc1ccc(cc1)-c1ccc(O)cc1)C(O)=O

InChIKey

InChIKey=KAFFYZSIXAGOKP-MORLPGTKSA-N

Formula

C52H68N8O16S

Mass

1093.22

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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 - C-glucuronide - Glycosyl compound - C-glycosyl compound - Phenylacetamide - Thienoimidazolidine - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Thia fatty acid - Short-chain hydroxy acid - Phenol - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acyl - Fatty acid - Benzenoid - Pyran - Oxane - N-acyl-amine - Imidazolidinone - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Thiophene - Thiolane - Imidazolidine - Azole - Secondary alcohol - Carbonic acid derivative - Carboxamide group - Oxacycle - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - 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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