lithocholic acid (Q3323035)

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chemical compound

LCA
lithocholate
(3alpha,5beta)-3-hydroxycholan-24-oic acid
5beta-cholanic acid-3alpha-ol
3alpha-hydroxy-5beta-cholanoic acid
3alpha-hydroxy-5beta-cholanic acid
3alpha-Hydroxy-5beta-cholanate
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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
3a-Hydroxy-5b-cholan-24-oic acid
(3a,5b)-3-hydroxy-cholan-24-oate
3a-Hydroxy-5b-cholan-24-oate
(4R)-4-[(1S,2S,5R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
(3a,5b)-3-hydroxy-cholan-24-oic acid

Language	Label	Description	Also known as
English	lithocholic acid	chemical compound	LCA lithocholate (3alpha,5beta)-3-hydroxycholan-24-oic acid 5beta-cholanic acid-3alpha-ol 3alpha-hydroxy-5beta-cholanoic acid 3alpha-hydroxy-5beta-cholanic acid 3alpha-Hydroxy-5beta-cholanate (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 3a-Hydroxy-5b-cholan-24-oic acid (3a,5b)-3-hydroxy-cholan-24-oate 3a-Hydroxy-5b-cholan-24-oate (4R)-4-[(1S,2S,5R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid (3a,5b)-3-hydroxy-cholan-24-oic acid

Statements

type of chemical entity

0 references

0 references

lithocholic acid binding

subject has role

1 reference

Gene Ontology release 2019-11-16

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

chemical structure

Lithocholic acid acsv.svg
1,590 × 1,065; 27 KB

0 references

376.298 dalton

1 reference

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

stereoisomer of

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

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

allolithocholic acid

1 reference

based on heuristic

inferred from InChIKey

isolithocholic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₄₀O₃

1 reference

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

canonical SMILES

CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

1 reference

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

isomeric SMILES

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

1 reference

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

3 references

Recon 2.2: from reconstruction to model of human metabolism

Bowel functions, fecal unconjugated primary and secondary bile acids, and colonic transit in patients with irritable bowel syndrome

A community-driven global reconstruction of human metabolism.

1 reference

Hepatic bile acid metabolism and expression of cytochrome P450 and related enzymes are altered in Bsep (-/-) mice.

physically interacts with

G protein-coupled bile acid receptor 1

subject has role

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

nuclear receptor subfamily 1 group I member 2

subject has role

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

vitamin D receptor

subject has role

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

Commons category

Lithocholic acid

0 references

Identifiers

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

1 reference

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

SMEROWZSTRWXGI-HVATVPOCSA-N

2 references

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

lithocholic acid (English)

19 October 2016

SMEROWZSTRWXGI-HVATVPOCSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=434-13-9

1 reference

language of work or name

Lithocholic acid (English)

19 October 2016

1 reference

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

Reaxys registry number

3217757

1 reference

language of work or name

lithocholic acid (English)

19 October 2016

mapping relation type

2 references

language of work or name

lithocholic acid (English)

19 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

1 reference

language of work or name

LITHOCHOLIC ACID (English)

19 October 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SMEROWZSTRWXGI-HVATVPOCSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-Nihon_Univ-NU000101

0 references

MSBNK-Nihon_Univ-NU000102

0 references

MSBNK-Nihon_Univ-NU000103

0 references

MSBNK-Nihon_Univ-NU000104

0 references

MSBNK-Nihon_Univ-NU000105

0 references

splash10-0a4i-9011000000-1c5755825804dd6e737f

0 references

splash10-004i-2029000000-b7be0279ae30ec53d437

0 references

splash10-004i-0009000000-39d3bd8c4aac06f17660

0 references

splash10-004i-1139000000-02cc884ddcb3b9fbf05d

0 references

splash10-05rv-4920000000-de3b80b61b7f2c19a68f

0 references

CAMEO Chemicals ID

0 references

FZ2275000

1 reference

imported from Wikimedia project

English Wikipedia

1 reference

Hazardous Substances Data Bank

publication date

28 October 2019

LITHOCHOLIC ACID (English)

10 May 2021

DSSTox substance ID

1 reference

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

DSSTOX compound identifier

0 references

0 references

207-099-1

1 reference

Global Substance Registration System

language of work or name

lithocholic acid (English)

19 October 2016

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Lithocholic acid (English)

CAS no.: 434-13-9 (English)

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

lithocholic acid (English)

19 October 2016

MeSH descriptor ID

subject named as

Lithocholic Acid

0 references

D04.210.500.105.225.480

0 references

D04.210.500.221.430.622

0 references

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

SMEROWZSTRWXGI-HVATVPOCSA-N

1 reference

Global Substance Registration System

language of work or name

lithocholic acid (English)

19 October 2016

Probes And Drugs ID

0 references

0 references

0 references

0 references

1 reference

6 April 2020

Encyclopædia Britannica Online ID

topic/lithocholic-acid

subject named as

lithocholic acid

0 references

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

0 references

1 reference

26 January 2022

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

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4Q0A (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

3W5P (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

3F3Y (English)

19 October 2016

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

24 May 2023

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(1 entry)

commonswiki Category:Lithocholic acid

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