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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
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
Steroid esters Cyclic depsipeptides Isoleucine and derivatives Macrolide lactams Valine and derivatives Macrolactams Proline and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Tricarboxylic acids and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines N-acyl amines Benzene and substituted derivatives Alpha-halocarboxylic acid derivatives Tertiary carboxylic acid amides Carboxylic acid esters Lactones Lactams Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Alkyl fluorides Organofluorides Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
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