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
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
Monohydroxy bile acids, alcohols and derivatives Steroid lactones Cyclic depsipeptides 3-alpha-hydroxysteroids Isoleucine and derivatives Macrolide lactams Valine and derivatives Macrolactams Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid esters Alpha amino acid amides Pyrrolidinecarboxamides N-acylpyrrolidines Benzene and substituted derivatives N-acyl amines Tertiary carboxylic acid amides Secondary alcohols Lactones Lactams Secondary carboxylic acid amides Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
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