deoxycholic acid (Q425680)

imported from Wikimedia project

Deoxycholic Acid (English)

publication date

23 September 2015

chemical structure

Deoxycholic acid.svg
805 × 445; 21 KB

1 reference

German Wikipedia

image of molecular model or crystal lattice model

Deoxycholic acid 3D ball.png
2,000 × 1,178; 460 KB

depicts

ball-and-stick model

0 references

mass

392.292664 dalton

1 reference

14 February 2018

2 references

3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid

2 references

2 references

(4R)-4-[(3S,5S,8R,9S,10S,12R,13R,14S,17R)-3,12-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-[(3S,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-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

3alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid

2 references

(4R)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-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

12-Epideoxycholic acid

1 reference

chemical formula

C₂₄H₄₀O₄

1 reference

DEOXYCHOLIC ACID (English)

21 September 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

1 reference

DEOXYCHOLIC ACID (English)

21 September 2016

isomeric SMILES

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

1 reference

14 February 2018

174 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Pseudomonas syringae

1 reference

Isolation of labradorins 1 and 2 from Pseudomonas syringae pv. coronafaciens

Homo sapiens

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

physically interacts with

Formyl peptide receptor 1

subject has role

agonist

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

G protein-coupled bile acid receptor 1

17 August 2016

subject has role

agonist

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

cholagogues and choleretics

17 August 2016

subject has role

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Medical Subject Headings

15 March 2018

0 references

1 reference

NCI Thesaurus ID

C81042

1 reference

imported from Wikimedia project

14 February 2018

Deoxycholic acid

0 references

Identifiers

GND ID

4149194-4

1 reference

German Wikipedia

InChI

InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

2 references

DEOXYCHOLIC ACID (English)

21 September 2016

14 February 2018

2 references

DEOXYCHOLIC ACID (English)

21 September 2016

14 February 2018

3 references

Deoxycholic Acid (English)

publication date

23 September 2015

14 February 2018

https://commonchemistry.cas.org/detail?cas_rn=83-44-3

10 April 2021

1 reference

14 February 2018

2 references

14 February 2018

Reaxys registry number

3219882

0 references

Gmelin number

670078

0 references

ChEBI ID

28834

mapping relation type

3 references

DEOXYCHOLIC ACID (English)

21 September 2016

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

1 reference

DEOXYCHOLIC ACID (English)

21 September 2016

2 references

MSBNK-Nihon_Univ-NU000151

1 reference

MassBank accession ID

MSBNK-Metabolon-MT000137

0 references

0 references

MSBNK-Nihon_Univ-NU000152

0 references

MSBNK-Nihon_Univ-NU000153

0 references

MSBNK-Nihon_Univ-NU000154

0 references

MSBNK-Nihon_Univ-NU000155

0 references

MSBNK-RIKEN-PR100932

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MSBNK-RIKEN-PR100933

0 references

MSBNK-Univ_Toyama-TY000188

0 references

SPLASH

splash10-0a4i-9000000000-46a571643408a7188df5

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splash10-0a4i-9002000000-4cab6b46eda02838a990

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splash10-0006-1019000000-1f91e5da5cc17739a53b

0 references

splash10-0006-0009000000-e13606993f865de39c46

0 references

splash10-0006-0019000000-75391fda5117ab26155c

0 references

splash10-0006-0009000000-269a5d1ed75b71c78ecb

0 references

splash10-0007-0009000000-827a9ce119d7f2f1cb5c

0 references

splash10-000x-0008000900-ebb0e6a61bd8f06a21f7

0 references

splash10-0ar0-0029000000-ea6861f3de62addf914c

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splash10-0002-0009000000-7f03ef0b295cf0a40e80

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splash10-0002-0009000000-3217e9f6293cc10d93d9

0 references

splash10-0002-0009000000-454ac2a2d7dcbc1d4eeb

0 references

splash10-004r-0029000000-c84527361ee127d0868e

0 references

splash10-0002-0009000000-ac84212f4d74d1d4d557

0 references

splash10-0a4i-0009000100-76ff55a7d316a477569a

0 references

splash10-001j-0005900010-49190e8eda0f957f0175

0 references

splash10-03dj-0006900000-8785d8b7b2dd31a20465

0 references

splash10-0007-2009000000-d7c20760d2074c07af22

0 references

splash10-0006-0009000000-8b9c4803e9cb1d194c2e

0 references

splash10-0006-0009000000-cccabd9d13ac783b6e31

0 references

HSDB ID

293

1 reference

Hazardous Substances Data Bank

28 October 2019

DEOXYCHOLIC ACID (English)

10 May 2021

2 references

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

DSSTOX compound identifier

0 references

0 references

1 reference

UNII

005990WHZZ

ECHA Substance Infocard ID

14 February 2018

100.001.344

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.344

27 December 2018

3-α,12-α-dihydroxy-5-β-cholan-24-oic acid (English)

quotation

CAS no.: 83-44-3 (English)

1 reference

28 December 2019

DEOXYCHOLIC ACID (English)

quotation

CAS no.: 83-44-3 (English)

ATC code

D11AX24

0 references

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

deoxycholic acid (English)

21 September 2016

Deoxycholic Acid

0 references

MeSH tree code

D04.210.500.105.225.272

0 references

D04.210.500.221.430.342

0 references

RxNorm ID

3194

1 reference

14 February 2018

1 reference

Human Metabolome Database ID

HMDB0000626

2 references

0 references

3 references

DEOXYCHOLIC ACID (English)

9 October 2015

UNII

005990WHZZ

14 February 2018

MedlinePlus drug identifier

0 references

1 reference