ursocholic acid (Q27155182)

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chemical compound

7-Epicholic acid
Ursocholic acid
7beta-Hydroxyisocholic acid
3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid
3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid
3a,7b,12a-Trihydroxy-5b-cholanic acid
7b-Hydroxyisocholic acid
3a,7b,12a-Trihydroxy-5b-cholan-24-oate
3a,7b,12a-Trihydroxy-5b-cholanate
3a,7b,12a-Trihydroxy-5b-cholanoic acid
3a,7b,12a-Trihydroxy-5b-cholan-24-oic acid
Ursocholate
3a,7b,12a-Trihydroxycholanic acid
7b-Hydroxyisocholate
7-Epicholate
3a,7b,12a-Trihydroxy-5b-cholanoate
3a,7b,12a-Trihydroxycholanate

Language	Label	Description	Also known as
English	ursocholic acid	chemical compound	7-Epicholic acid Ursocholic acid 7beta-Hydroxyisocholic acid 3alpha,7beta,12alpha-Trihydroxy-5beta-cholanic acid 3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid 3a,7b,12a-Trihydroxy-5b-cholanic acid 7b-Hydroxyisocholic acid 3a,7b,12a-Trihydroxy-5b-cholan-24-oate 3a,7b,12a-Trihydroxy-5b-cholanate 3a,7b,12a-Trihydroxy-5b-cholanoic acid 3a,7b,12a-Trihydroxy-5b-cholan-24-oic acid Ursocholate 3a,7b,12a-Trihydroxycholanic acid 7b-Hydroxyisocholate 7-Epicholate 3a,7b,12a-Trihydroxy-5b-cholanoate 3a,7b,12a-Trihydroxycholanate

Statements

type of chemical entity

0 references

0 references

408.287574±0 dalton

1 reference

language of work or name

ursocholic acid (English)

9 October 2016

stereoisomer of

(4R)-4-[(3S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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

3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4R)-4-[(3S,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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-[(3S,5R,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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-[(3S,5R,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

(4R)-4-[(3S,5R,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

(4R)-4-[(3S,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

(4R)-4-[(3R,5R,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

Allocholic acid

1 reference

based on heuristic

inferred from InChI

(4R)-4-[(3S,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

(4R)-4-[(3R,5R,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

3beta,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic Acid

1 reference

based on heuristic

inferred from InChI

(4S)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

(4R)-4-[(3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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

based on heuristic

inferred from InChI

chemical formula

C₂₄H₄₀O₅

1 reference

language of work or name

ursocholic acid (English)

19 November 2016

canonical SMILES

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

1 reference

language of work or name

ursocholic acid (English)

19 November 2016

isomeric SMILES

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

1 reference

language of work or name

ursocholic acid (English)

19 November 2016

Identifiers

InChI=1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1

1 reference

language of work or name

ursocholic acid (English)

19 November 2016

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

2 references

language of work or name

ursocholic acid (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

ursocholic acid (English)

19 November 2016

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=2955-27-3

1 reference

language of work or name

3alpha,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic acid (English)

19 November 2016

2 references

language of work or name

ursocholic acid (English)

19 November 2016

matched by identifier from

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

mapping relation type

2 references

language of work or name

CHEMBL1254416 (English)

19 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19+,20+,22+,23+,24-/m1/s1

1 reference

language of work or name

CHEMBL1254416 (English)

19 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

UniChem compound ID

1 reference

MassBank accession ID

MSBNK-Nihon_Univ-NU000196

0 references

MSBNK-Nihon_Univ-NU000197

0 references

MSBNK-Nihon_Univ-NU000198

0 references

MSBNK-Nihon_Univ-NU000199

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MSBNK-Nihon_Univ-NU000200

0 references

splash10-03xr-9200000000-b7970207fe0cfc430e24

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splash10-03di-9300100000-1223e59c8c8ec0966b48

0 references

splash10-08i0-9200100000-3a59db57b82089118df1

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splash10-0bvi-9200000000-03caec745a0ceb841ff8

0 references

DSSTox substance ID

DTXSID301018756

1 reference

matched by identifier from

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

2 references

Global Substance Registration System

language of work or name

ursocholic acid (English)

19 November 2016

matched by identifier from

BHQCQFFYRZLCQQ-UTLSPDKDSA-N

Probes And Drugs ID

0 references

1 reference

language of work or name

Ursocholate (English)

9 October 2016

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

Sitelinks

Wikipedia(0 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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