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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 NUTRIACHOLIC ACID

SMILES

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

HIDE SMILES / InChI

Molecular Formula C24H38O4
Molecular Weight 390.5561
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Conversion of 7-ketolithocholic acid to ursodeoxycholic acid by human intestinal anaerobic microorganisms: interchangeability of chenodeoxycholic acid and ursodeoxycholic acid.
1979 Oct
Metabolism in man of 7-ketolithocholic acid: precursor of cheno- and ursodeoxycholic acids.
1980 Sep
Further observations on the in vitro metabolism of chenodeoxycholic acid and ursodeoxycholic acid.
1982
Effect of 7-ketolithocholic acid on bile acid metabolism in humans.
1982 Aug
Reduction of 7-ketolithocholic acid by human liver enzyme preparations in vitro.
1989 Jan
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:07:07 GMT 2023
Edited
by admin
on Fri Dec 15 15:07:07 GMT 2023
Record UNII
Y1357H1A28
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NUTRIACHOLIC ACID
Common Name English
NSC-226118
Code English
7-OXO-3.ALPHA.-HYDROXYCHOLAN-24-OIC ACID
Systematic Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLANIC ACID
Systematic Name English
URSODEOXYCHOLIC ACID IMPURITY F [EP IMPURITY]
Common Name English
7-KETOCHENODEOXYCHOLIC ACID
Common Name English
7-KETOLITHOCHOLIC ACID
Common Name English
7-KETO-LITHOCHOLIC ACID
Common Name English
7-OXOLITHOCHOLIC ACID
Common Name English
CHOLAN-24-OIC ACID, 3-HYDROXY-7-OXO-, (3.ALPHA.,5.BETA.)-
Common Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLAN-24-OIC ACID
Systematic Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLANOIC ACID
Systematic Name English
3.ALPHA.-HYDROXY-7-OXO-5.BETA.-CHOLIC ACID
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
225-083-2
Created by admin on Fri Dec 15 15:07:08 GMT 2023 , Edited by admin on Fri Dec 15 15:07:08 GMT 2023
PRIMARY
CAS
4651-67-6
Created by admin on Fri Dec 15 15:07:08 GMT 2023 , Edited by admin on Fri Dec 15 15:07:08 GMT 2023
PRIMARY
NSC
226118
Created by admin on Fri Dec 15 15:07:08 GMT 2023 , Edited by admin on Fri Dec 15 15:07:08 GMT 2023
PRIMARY
PUBCHEM
444262
Created by admin on Fri Dec 15 15:07:08 GMT 2023 , Edited by admin on Fri Dec 15 15:07:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID501032263
Created by admin on Fri Dec 15 15:07:08 GMT 2023 , Edited by admin on Fri Dec 15 15:07:08 GMT 2023
PRIMARY
FDA UNII
Y1357H1A28
Created by admin on Fri Dec 15 15:07:08 GMT 2023 , Edited by admin on Fri Dec 15 15:07:08 GMT 2023
PRIMARY
CHEBI
82679
Created by admin on Fri Dec 15 15:07:08 GMT 2023 , Edited by admin on Fri Dec 15 15:07:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO
MINOR
PARENT -> METABOLITE
Unit: percent of total bile acids; Daily dose of UDCA: 15mg/kg (n=6); Duration: 15 days; before treatment (7-KLCA in feces): 1 % of total bile acids
IN-VIVO
FECAL
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP