U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H38O3
Molecular Weight 374.5567
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEHYDROLITHOCHOLIC ACID

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O

InChI

InChIKey=KIQFUORWRVZTHT-OPTMKGCMSA-N
InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Vitamin D receptor as an intestinal bile acid sensor.
2002 May 17
Novel pathways of bile acid metabolism involving CYP3A4.
2005 Feb 21
In silico prediction of pregnane X receptor activators by machine learning approaches.
2007 Jan
Biotransformation of lithocholic acid by rat hepatic microsomes: metabolite analysis by liquid chromatography/mass spectrometry.
2008 Feb
Patents

Patents

Name Type Language
DEHYDROLITHOCHOLIC ACID
Common Name English
3-OXOLITHOCHOLIC ACID
Common Name English
CHOLAN-24-OIC ACID, 3-OXO-, (5.BETA.)-
Common Name English
3-KETOLITHOCHOLIC ACID
Common Name English
3-KETO-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
5.BETA.-CHOLANIC ACID-3-ONE
Common Name English
5.BETA.-CHOLANIC ACID, 3-OXO-
Common Name English
3-OXO-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
5.BETA.-CHOLAN-24-OIC ACID, 3-OXO-
Common Name English
3-KETO-5.BETA.-CHOLANIC ACID
Systematic Name English
3-OXOCHOLANIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
5283906
Created by admin on Fri Dec 15 18:30:32 GMT 2023 , Edited by admin on Fri Dec 15 18:30:32 GMT 2023
PRIMARY
CHEBI
17639
Created by admin on Fri Dec 15 18:30:32 GMT 2023 , Edited by admin on Fri Dec 15 18:30:32 GMT 2023
PRIMARY
FDA UNII
96JBM35FXF
Created by admin on Fri Dec 15 18:30:32 GMT 2023 , Edited by admin on Fri Dec 15 18:30:32 GMT 2023
PRIMARY
CAS
1553-56-6
Created by admin on Fri Dec 15 18:30:32 GMT 2023 , Edited by admin on Fri Dec 15 18:30:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID60935182
Created by admin on Fri Dec 15 18:30:32 GMT 2023 , Edited by admin on Fri Dec 15 18:30:32 GMT 2023
PRIMARY