(Q419028)

reactant

1 reference

Gene Ontology release 2019-11-16

has use

medication

0 references

chemical structure

Chenodeoxycholic acid.svg
221 × 139; 8 KB

1 reference

imported from Wikimedia project

German Wikipedia

image of molecular model or crystal lattice model

Chenodeoxycholic acid 3D ball.png
2,000 × 1,154; 485 KB

depicts

ball-and-stick model

0 references

mass

392.293 dalton

1 reference

chenodeoxycholic acid (English)

(4R)-4-[(3S,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

19 October 2016

stereoisomer of

2 references

3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid

2 references

isoursodeoxycholic acid

2 references

(4R)-4-[(3S,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

2 references

(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

2 references

(4R)-4-[(3R,5S,7R,8S,9R,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Allochenodeoxycholate

1 reference

1 reference

1 reference

(4R)-4-[(3R,5S,7S,8S,9R,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

1 reference

chemical formula

C₂₄H₄₀O₄

1 reference

chenodeoxycholic acid (English)

19 November 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

1 reference

chenodeoxycholic acid (English)

19 November 2016

isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

1 reference

Recon 2.2: from reconstruction to model of human metabolism

chenodeoxycholic acid (English)

19 November 2016

3 references

A community-driven global reconstruction of human metabolism.

The Farnesoid X receptor: a molecular link between bile acid and lipid and glucose metabolism

Ganoderma lucidum

1 reference

Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum

house mouse

1 reference

Suppression of renal disease and mortality in the female NZB x NZW F1 mouse model of systemic lupus erythematosus (SLE) by chenodeoxycholic acid

medical condition treated

cholestasis

start time

28 July 1983

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/0GEI24LG0J

2 November 2018

reference URL

https://www.drugs.com/pro/chenodiol.html

physically interacts with

Nuclear receptor subfamily 1 group H member 4

agonist

1 reference

Formyl peptide receptor 1

17 August 2016

agonist

1 reference

G protein-coupled bile acid receptor 1

17 August 2016

agonist

1 reference

LiverTox likelihood score

17 August 2016

LiverTox toxicity likelihood category E*

1 reference

8 April 2021

https://www.ncbi.nlm.nih.gov/books/n/livertox/Chenodiol

9 September 2016

1 reference

1 reference

Medical Subject Headings

MeSH descriptor ID

D002635

15 March 2018

gastrointestinal agent

1 reference

Medical Subject Headings

MeSH descriptor ID

D002635

15 March 2018

developmental toxicant

start time

1 April 1990

1 reference

California Proposition 65 list of chemicals

https://oehha.ca.gov/chemicals/chenodiol

21 February 2020

reference URL

MCN code

2918.19.22

0 references

0 references

0 references

0 references

Chenodeoxycholic acid

0 references

Identifiers

InChI

InChI=1S/C24H40O4/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/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15 ,16-,17-,18 ,19 ,20-,22 ,23 ,24-/m1/s1

1 reference

chenodeoxycholic acid (English)

19 November 2016

2 references

chenodeoxycholic acid (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

474-25-9

2 references

chenodiol (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=474-25-9

10 April 2021

1 reference

chenodeoxycholic acid (English)

19 November 2016

2 references

chenodeoxycholic acid (English)

19 November 2016

Reaxys registry number

3219887

1 reference

chenodeoxycholic acid (English)

19 October 2016

ChEBI ID

16755

mapping relation type

2 references

CHENODIOL (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C24H40O4/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/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15 ,16-,17-,18 ,19 ,20-,22 ,23 ,24-/m1/s1

1 reference

CHENODIOL (English)

19 November 2016

2 references

MSBNK-Nihon_Univ-NU000131

1 reference

MassBank accession ID

MSBNK-Metabolon-MT000031

0 references

0 references

MSBNK-Nihon_Univ-NU000132

0 references

MSBNK-Nihon_Univ-NU000133

0 references

MSBNK-Nihon_Univ-NU000134

0 references

MSBNK-Nihon_Univ-NU000135

0 references

SPLASH

splash10-0a4i-9100100000-a52cf36b8453aa460b34

0 references

splash10-0a4i-9011000000-36e6cb127051bb79b241

0 references

splash10-0006-2029200000-d6e67510eeaab66e4337

0 references

splash10-0006-0009100000-51b6e3060990445b6ff8

0 references

splash10-0006-0019200010-9fc4dc75ce69760f3b4f

0 references

splash10-00di-0009500000-aec6ee96d2062f5fd5e8

0 references

splash10-0006-0009500000-eb95f8b5eb2d5375b386

0 references

splash10-00di-0009500000-64a820fefc276a91acb7

0 references

splash10-00di-0009500000-2bc0b13d976ade7c3da0

0 references

splash10-004r-0049500000-f3f38c504a388e710b36

0 references

splash10-004i-0003566900-8bc91fe4a4a81584e724

0 references

splash10-004r-0003644900-01dedb5730970138bdc1

0 references

splash10-0a4i-0009500000-82ed6dc62b49ac0340e6

0 references

splash10-053r-6950000000-c97325e1ca9bcff75af1

0 references

splash10-01pa-2930000000-64edc819ad56b842cdba

0 references

splash10-0a6u-3920000000-ce93b24c6e2568b6087d

0 references

0 references

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

0 references

1 reference

chenodiol (English)

ECHA Substance Infocard ID

19 November 2016

100.006.803

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.803

27 December 2018

Chenodeoxycholic acid (English)

quotation

CAS no.: 474-25-9 (English)

1 reference

Chenodeoxycholic acid (English)

publication date

17 November 2015

1 reference

chenodeoxycholic acid (English)

19 November 2016

Chenodeoxycholic Acid

1 reference

D04.210.500.105.225.272.150

Medical Subject Headings

14 March 2018

0 references

D04.210.500.221.430.342.300

0 references

RxNorm ID

2323

1 reference

chenodiol (English)

19 November 2016

1 reference

Human Metabolome Database ID

HMDB0000518

2 references

2 references

chenodiol (English)

19 November 2016

NDF-RT ID

N0000020371

1 reference

chenodiol (English)

19 November 2016

1 reference

26 February 2018

0 references

1 reference

1 reference

California Proposition 65 list of chemicals

Chenodeoxycholic acid (English)

19 January 2016

0 references

0 references

1 reference

https://oehha.ca.gov/chemicals/chenodiol

2 December 2019

reference URL

1 reference

6 April 2020

1 reference

28 October 2013

Microsoft Academic ID

0 references

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

1 reference

2JN3 (English)

19 October 2016

1 reference

3O02 (English)

19 October 2016

1 reference

4QE6 (English)

19 October 2016

1 reference