Structure Information
Structure

Compound Identification

SMILES

CC[C@@H](C)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]1CCCN1C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H]1[C@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](NC(=O)[C@H](NC1=O)[C@H](C)CC)C(C)C)=C\C)C(C)C

InChIKey

InChIKey=RAZBRJUINHPOAT-DKQAYZKNSA-N

Formula

C92H150N14O17

Mass

1724.293

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Bile acids, alcohols and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Glycinated bile acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Glycinated bile acid - Hydroxy bile acid, alcohol, or derivatives - Monohydroxy bile acid, alcohol, or derivatives - Steroid lactone - Depsipeptide - Cyclic depsipeptide - 3-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - Isoleucine or derivatives - Macrolide lactam - Proline or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Macrolactam - Alpha-amino acid ester - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Fatty acyl - Monocyclic benzene moiety - N-acyl-amine - Benzenoid - Fatty amide - Cyclic alcohol - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Lactone - Lactam - Carboxylic acid ester - Secondary alcohol - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Primary aliphatic amine - Primary amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.

External Descriptors

Not available

Previous Back Next