Compound Identification
SMILES
C[C@H](CCC(=O)N[C@@H](CCCCNC(=S)NC1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2)C(O)=O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
InChIKey
InChIKey=KHNJPPGHIWPDLG-QCKHQWRLSA-N
Formula
C51H63N3O11S
Mass
926.14
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
Trihydroxy bile acids, alcohols and derivatives Steroid lactones 7-hydroxysteroids 3-alpha-hydroxysteroids 12-hydroxysteroids Xanthenes N-acyl-L-alpha-amino acids Diarylethers Phthalides Benzofuranones Isobenzofurans Medium-chain fatty acids Hydroxy fatty acids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Dicarboxylic acids and derivatives Thioureas Secondary carboxylic acid amides Secondary alcohols Lactones Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Glycinated bile acid - Trihydroxy bile acid, alcohol, or derivatives - Hydroxy bile acid, alcohol, or derivatives - Steroid lactone - 7-hydroxysteroid - 3-alpha-hydroxysteroid - Hydroxysteroid - 12-hydroxysteroid - 3-hydroxysteroid - Xanthene - Dibenzopyran - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Diaryl ether - Isobenzofuranone - 1-benzopyran - Phthalide - Benzopyran - Benzofuranone - Alpha-amino acid or derivatives - Isocoumaran - Isobenzofuran - Medium-chain fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Benzenoid - N-acyl-amine - Fatty amide - Dicarboxylic acid or derivatives - Cyclic alcohol - Thiourea - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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