Compound Identification
SMILES
C[C@H](CCC(=O)NCCCCC(NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OS(O)(=O)=O)[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O)C(=O)NCCCCNC(=O)C(CCCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OS(O)(=O)=O)[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O)NC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OS(O)(=O)=O)[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OS(O)(=O)=O)[C@]12C)OS(O)(=O)=O)OS(O)(=O)=O
InChIKey
InChIKey=JETCSXCNZPBDGD-GPEAFHFJSA-N
Formula
C112H188N6O54S12
Mass
2867.44
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
Sulfated steroids N-acyl-alpha amino acids and derivatives Alpha amino acid amides Sulfuric acid monoesters N-acyl amines Alkyl sulfates Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Glycinated bile acid - Sulfated steroid skeleton - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Fatty amide - N-acyl-amine - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aliphatic homopolycyclic 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