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](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(F)(F)F)C(C)C)[C@@H](C)OC(=O)C(F)(F)F)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=KTOYRGZLWWOPCH-NXNUHCDESA-N

Formula

C96H148F6N14O19

Mass

1916.309

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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 - Steroid ester - Cyclic depsipeptide - Depsipeptide - Isoleucine or derivatives - Macrolide lactam - Alpha-amino acid ester - Valine or derivatives - Proline or derivatives - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Pyrrolidine - Carboxylic acid ester - Carboxamide group - Lactone - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Primary aliphatic amine - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - 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

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