Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:18:46 UTC |
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Update Date | 2020-05-11 20:35:12 UTC |
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BMDB ID | BMDB0000036 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Taurocholic acid |
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Description | Taurocholic acid, also known as taurocholate or choloyl-taurine, belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. Taurocholic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | |
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Synonyms | Value | Source |
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3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine | ChEBI | Cholic acid taurine conjugate | ChEBI | Choloyl-taurine | ChEBI | Cholyltaurine | ChEBI | N-Choloyltaurine | ChEBI | Taurocholate | ChEBI | 3a,7a,12a-Trihydroxy-5b-cholanate 24-taurine | Generator | 3a,7a,12a-Trihydroxy-5b-cholanic acid 24-taurine | Generator | 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate 24-taurine | Generator | 3Α,7α,12α-trihydroxy-5β-cholanate 24-taurine | Generator | 3Α,7α,12α-trihydroxy-5β-cholanic acid 24-taurine | Generator | Cholate taurine conjugate | Generator | Cholic acid taurine conjugic acid | Generator | Cholaic acid | HMDB | Cholaate | HMDB | Taurine cholate | HMDB | Taurocholic acid, (7 beta)-isomer | HMDB | Taurocholic acid, (5 alpha)-isomer | HMDB |
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Chemical Formula | C26H45NO7S |
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Average Molecular Weight | 515.703 |
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Monoisotopic Molecular Weight | 515.291673489 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 81-24-3 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
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InChI Key | WBWWGRHZICKQGZ-HZAMXZRMSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Bile acids, alcohols and derivatives |
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Direct Parent | Trihydroxy bile acids, alcohols and derivatives |
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Alternative Parents | |
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Substituents | - Trihydroxy bile acid, alcohol, or derivatives
- 3-hydroxysteroid
- 12-hydroxysteroid
- Hydroxysteroid
- 3-alpha-hydroxysteroid
- 7-hydroxysteroid
- Cyclic alcohol
- Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Organosulfonic acid
- Sulfonyl
- Alkanesulfonic acid
- Secondary alcohol
- Carboximidic acid
- Polyol
- Carboximidic acid derivative
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Alcohol
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organic nitrogen compound
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Status | Detected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | - Cell membrane
- Cytoplasm
- Myelin sheath
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Synthesis Reference | Schersten, Tore; Bjorntorp, Per; Ekdahi, Per H.; Bjorkerud, Soren. Synthesis of taurocholic and glycocholic acids by preparations of human liver. II. An analysis of the stimulating effect of the L fraction. Biochimica et Biophysica Acta, General Subjects (1967), 141(1), 155-63. |
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