taurocholic acid (Q2659931)

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yellowish crystalline bile acid
  • TCA
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine
  • N-choloyltaurine
  • cholic acid taurine conjugate
  • 2-[[(4R)-4-[(3R,5S,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]pentanoyl]amino]ethanesulfonic acid
  • 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
  • 2-[[(4R)-1-oxo-4-[(3R,5S,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]pentyl]amino]ethanesulfonic acid
  • N-Choloyl-Taurine
  • 2-{4-[(5R,7S,9R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido}ethane-1-sulfonic acid
  • Cholaic acid
  • 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-taurine
  • Taurocholic Acid
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Language Label Description Also known as
English
taurocholic acid
yellowish crystalline bile acid
  • TCA
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine
  • N-choloyltaurine
  • cholic acid taurine conjugate
  • 2-[[(4R)-4-[(3R,5S,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]pentanoyl]amino]ethanesulfonic acid
  • 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
  • 2-[[(4R)-1-oxo-4-[(3R,5S,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]pentyl]amino]ethanesulfonic acid
  • N-Choloyl-Taurine
  • 2-{4-[(5R,7S,9R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido}ethane-1-sulfonic acid
  • Cholaic acid
  • 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-taurine
  • Taurocholic Acid

Statements

subclass of
sterol
0 references
cholanoid
0 references
bile acids
0 references
chemical structure
Taurocholic acid.svg
1,065 × 510; 26 KB
0 references
mass
515.292±0 dalton
1 reference
stated in
PubChem
PubChem CID
6675
language of work or name
English
title
TAUROCHOLIC ACID (English)
retrieved
19 October 2016
chemical formula
C₂₆H₄₅NO₇S
1 reference
stated in
PubChem
PubChem CID
6675
language of work or name
English
title
TAUROCHOLIC ACID (English)
retrieved
19 October 2016
canonical SMILES
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
1 reference
stated in
PubChem
PubChem CID
6675
language of work or name
English
title
TAUROCHOLIC ACID (English)
retrieved
19 October 2016
isomeric SMILES
C[C@H](CCC(=O)NCCS(=O)(=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
stated in
PubChem
PubChem CID
6675
language of work or name
English
title
TAUROCHOLIC ACID (English)
retrieved
19 October 2016
has part(s)
carbon
0 references

Identifiers

ChemSpider ID
6423
1 reference
stated in
ChemSpider
ChemSpider ID
6423
language of work or name
English
title
Taurocholic acid (English)
retrieved
19 October 2016
PubChem CID
6675
1 reference
stated in
PubChem
PubChem CID
6675
language of work or name
English
title
TAUROCHOLIC ACID (English)
retrieved
19 October 2016
Reaxys registry number
2956951
1 reference
stated in
ChEBI
ChEBI ID
28865
language of work or name
English
title
taurocholic acid (English)
retrieved
19 October 2016
HSDB ID
832
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
832
publication date
28 October 2019
title
TAUROCHOLIC ACID (English)
retrieved
10 May 2021
NSC number
25505
0 references
ECHA Substance Infocard ID
100.001.216
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.001.216
retrieved
27 December 2018
title
2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]ethanesulphonic acid (English)
quotation
CAS no.: 81-24-3 (English)
MeSH descriptor ID
D013656
subject named as
Taurocholic Acid
0 references
DrugBank ID
04348
0 references
KEGG ID
C05122
0 references
PDB ligand ID
TCH
0 references
Elhuyar ZTH ID
132370
0 references
 
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