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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H38O4
Molecular Weight 390.5561
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-KETOLITHOCHOLIC ACID

SMILES

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

InChI

InChIKey=JWZBXKZZDYMDCJ-IJPFKRJSSA-N
InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,23-,24-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6-KETOLITHOCHOLIC ACID
Common Name English
3.ALPHA.-HYDROXY-6-OXO-5.BETA.-CHOLANIC ACID
Systematic Name English
5.BETA.-CHOLANIC ACID-3.ALPHA.-OL-6-ONE
Systematic Name English
6-OXOLITHOCHOLIC ACID
Common Name English
CHOLAN-24-OIC ACID, 3-HYDROXY-6-OXO-, (3.ALPHA.,5.BETA.)-
Systematic Name English
(3.ALPHA.,5.BETA.)-3-HYDROXY-6-OXOCHOLAN-24-OIC ACID
Systematic Name English
Code System Code Type Description
CAS
2393-61-5
Created by admin on Sat Dec 16 17:52:31 GMT 2023 , Edited by admin on Sat Dec 16 17:52:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID60946753
Created by admin on Sat Dec 16 17:52:31 GMT 2023 , Edited by admin on Sat Dec 16 17:52:31 GMT 2023
PRIMARY
PUBCHEM
164960
Created by admin on Sat Dec 16 17:52:31 GMT 2023 , Edited by admin on Sat Dec 16 17:52:31 GMT 2023
PRIMARY
FDA UNII
TR1VF7TT2Q
Created by admin on Sat Dec 16 17:52:31 GMT 2023 , Edited by admin on Sat Dec 16 17:52:31 GMT 2023
PRIMARY