dehydrocholic acid (Q903387)

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chemical compound

3,7,12-Triketo-5beta-cholanoic acid
Dehydrocholic acid
Decholin
3,7,12-trioxo-5beta-cholanic acid
3,7,12-trioxocholanic acid
3,7,12-triketocholanic acid
Dehydrocholate
3,7,12-trioxo-5β-cholanic acid

Language	Label	Description	Also known as
English	dehydrocholic acid	chemical compound	3,7,12-Triketo-5beta-cholanoic acid Dehydrocholic acid Decholin 3,7,12-trioxo-5beta-cholanic acid 3,7,12-trioxocholanic acid 3,7,12-triketocholanic acid Dehydrocholate 3,7,12-trioxo-5β-cholanic acid

Statements

type of chemical entity

0 references

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chemical structure

Dehydrocholic acid.svg
190 × 146; 20 KB

1 reference

imported from Wikimedia project

German Wikipedia

402.241 dalton

1 reference

language of work or name

dehydrocholic acid (English)

17 November 2016

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₄O₅

1 reference

language of work or name

dehydrocholic acid (English)

17 November 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C

1 reference

language of work or name

dehydrocholic acid (English)

17 November 2016

isomeric SMILES

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

1 reference

language of work or name

dehydrocholic acid (English)

17 November 2016

237 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

has characteristic

1 reference

subject has role

cholagogues and choleretics

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14 ,16-,17 ,18 ,22 ,23 ,24-/m1/s1

1 reference

language of work or name

dehydrocholic acid (English)

17 November 2016

OHXPGWPVLFPUSM-KLRNGDHRSA-N

2 references

language of work or name

dehydrocholic acid (English)

17 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

dehydrocholic acid (English)

17 November 2016

OHXPGWPVLFPUSM-KLRNGDHRSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=81-23-2

1 reference

language of work or name

Dehydrocholic acid (English)

17 November 2016

2 references

language of work or name

dehydrocholic acid (English)

17 November 2016

matched by identifier from

OHXPGWPVLFPUSM-KLRNGDHRSA-N

Reaxys registry number

3226734

1 reference

language of work or name

3,7,12-trioxo-5beta-cholanic acid (English)

6 October 2016

1109714

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mapping relation type

2 references

language of work or name

DEHYDROCHOLIC ACID (English)

17 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14 ,16-,17 ,18 ,22 ,23 ,24-/m1/s1

1 reference

language of work or name

DEHYDROCHOLIC ACID (English)

17 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OHXPGWPVLFPUSM-KLRNGDHRSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-Nihon_Univ-NU000691

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MSBNK-Nihon_Univ-NU000692

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MSBNK-Nihon_Univ-NU000693

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splash10-001i-0029500000-a70b76fe79ad5e0320b0

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splash10-001i-0029500000-07108b1c5f964ba23742

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splash10-000i-0009500000-0bf8cf0817b88a5bef7c

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splash10-00kr-0459500000-435f87bc1a58a855a0ce

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splash10-0002-3962000000-2dfafa7266e72ac813b0

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DSSTox substance ID

2 references

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

matched by identifier from

OHXPGWPVLFPUSM-KLRNGDHRSA-N

DSSTOX compound identifier

0 references

0 references

0 references

1 reference

Global Substance Registration System

language of work or name

dehydrocholic acid (English)

17 November 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Dehydrocholic acid (English)

CAS no.: 81-23-2 (English)

MeSH descriptor ID

subject named as

Dehydrocholic Acid

0 references

D04.210.500.105.225.261

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D04.210.500.221.430.265

0 references

1 reference

Global Substance Registration System

language of work or name

dehydrocholic acid (English)

17 November 2016

1 reference

matched by identifier from

OHXPGWPVLFPUSM-KLRNGDHRSA-N

2 references

Global Substance Registration System

language of work or name

dehydrocholic acid (English)

17 November 2016

matched by identifier from

OHXPGWPVLFPUSM-KLRNGDHRSA-N

1 reference

Global Substance Registration System

language of work or name

dehydrocholic acid (English)

17 November 2016

Probes And Drugs ID

0 references

1 reference

1 reference

language of work or name

3,7,12-trioxo-5beta-cholanic acid (English)

6 October 2016

1 reference

language of work or name

3,7,12-trioxo-5beta-cholanic acid (English)

6 October 2016

0 references

1 reference

6 April 2020

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

0 references

1 reference

Global Substance Registration System

language of work or name

dehydrocholic acid (English)

17 November 2016

Sitelinks

Wikipedia(10 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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