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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:01 UTC
HMDB IDHMDB0000377
Secondary Accession Numbers
  • HMDB00377
Metabolite Identification
Common Name3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid
Description3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid is an uncommon bile acid with OH groups at C-3, 6, 7, and 12 positions. (High-performance liquid chromatography of bile acids. Effect of hydroxyl groups at C-3, 6, 7 and 12 on bile acid mobility. Batta, Ashok K. Aggarwal, Suresht K. Salen, Gerald. New Jersey Med. Sch., Univ. Med. Dent., Newark, NJ, USA. Journal of Liquid Chromatography (1992), 15(3), 467-78.).
Structure
Data?1582752127
Synonyms
ValueSource
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoateGenerator
(4R)-4-[(1S,2R,5R,7R,8S,9R,10R,11S,14R,15R,16R)-5,8,9,16-Tetrahydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoateHMDB
Chemical FormulaC24H40O6
Average Molecular Weight424.5708
Monoisotopic Molecular Weight424.282489012
IUPAC Name(4R)-4-[(1S,2R,5R,7R,8S,9R,10R,11S,14R,15R,16R)-5,8,9,16-tetrahydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid
Traditional Name(4R)-4-[(1S,2R,5R,7R,8S,9R,10R,11S,14R,15R,16R)-5,8,9,16-tetrahydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid
CAS Registry Number140852-41-1
SMILES
[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C
InChI Identifier
InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17+,18-,20+,21+,22-,23-,24-/m1/s1
InChI KeyCOCMFMBNEAMQMA-XEGXWRQYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassBile acids, alcohols and derivatives
Direct ParentTetrahydroxy bile acids, alcohols and derivatives
Alternative Parents
Substituents
  • Tetrahydroxy bile acid, alcohol, or derivatives
  • 3-hydroxysteroid
  • 12-hydroxysteroid
  • 7-hydroxysteroid
  • 7-alpha-hydroxysteroid
  • 3-alpha-hydroxysteroid
  • 6-hydroxysteroid
  • Hydroxysteroid
  • Cyclic alcohol
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Polyol
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
Biological locationRoute of exposureSource
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.51 g/LALOGPS
logP1.33ALOGPS
logP1.49ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)4.48ChemAxon
pKa (Strongest Basic)-0.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity112.07 m³·mol⁻¹ChemAxon
Polarizability47.9 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+205.95132859911
AllCCS[M-H]-203.54832859911
DeepCCS[M-2H]-227.89330932474
DeepCCS[M+Na]+201.66830932474
AllCCS[M+H]+206.032859911
AllCCS[M+H-H2O]+204.032859911
AllCCS[M+NH4]+207.832859911
AllCCS[M+Na]+208.332859911
AllCCS[M-H]-203.532859911
AllCCS[M+Na-2H]-205.032859911
AllCCS[M+HCOO]-206.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C4156.8Standard polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C3604.8Standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@H](O)C[C@@]1([H])[C@@]2([H])[C@@H](O)[C@@H](O)[C@]2([H])C[C@H](O)CC[C@]12C3817.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O3481.2Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer #2C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O3498.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer #3C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3411.8Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer #4C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3416.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TMS,isomer #5C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O3501.7Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O3429.8Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #10C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3358.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #2C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O3423.1Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #3C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3356.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #4C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3356.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #5C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O3416.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #6C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3350.1Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #7C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3395.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #8C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3359.4Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TMS,isomer #9C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3315.1Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O3375.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #10C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3327.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #2C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3320.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #3C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3357.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #4C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3318.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #5C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3327.9Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #6C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3292.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #7C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3339.8Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #8C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3378.0Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TMS,isomer #9C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3341.0Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O3324.7Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer #2C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C3360.1Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer #3C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3331.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer #4C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3316.7Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TMS,isomer #5C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3371.4Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,5TMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C)[C@@H]3O[Si](C)(C)C3354.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TBDMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O3745.8Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TBDMS,isomer #2C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O3713.2Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TBDMS,isomer #3C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C3632.7Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TBDMS,isomer #4C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O3636.4Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,1TBDMS,isomer #5C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O3725.8Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O3898.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #10C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O3807.0Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #2C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O3914.1Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #3C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O3803.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #4C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C3798.9Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #5C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O3865.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #6C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O3777.0Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #7C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C3819.0Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #8C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C3802.2Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,2TBDMS,isomer #9C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C3752.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O4058.7Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #10C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C3961.0Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #2C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O3964.8Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #3C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C4010.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #4C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O3977.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #5C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C3987.2Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #6C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C3928.2Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #7C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O3979.6Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #8C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C4021.9Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,3TBDMS,isomer #9C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C3979.1Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer #1C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O4161.3Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer #2C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O)[C@@H]3O[Si](C)(C)C(C)(C)C4199.7Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer #3C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C4168.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer #4C[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C4152.5Semi standard non polar33892256
3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid,4TBDMS,isomer #5C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O[Si](C)(C)C(C)(C)C4197.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-06r6-0459200000-586c42b929efde249c792017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (3 TMS) - 70eV, Positivesplash10-004i-2131249000-38b3c5391ea0611727cc2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid GC-MS (TMS_3_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 10V, Positive-QTOFsplash10-052r-0009800000-6f6c9abe85d22d050c172017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 20V, Positive-QTOFsplash10-052r-0009200000-15e92e0a6aea656987f32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 40V, Positive-QTOFsplash10-0002-3109000000-faa34f0970de39bffea72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 10V, Negative-QTOFsplash10-05fr-0002900000-3020b9a851cdf8873e392017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 20V, Negative-QTOFsplash10-0a4i-1004900000-d0a37f124217ef47ca782017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 40V, Negative-QTOFsplash10-0a4l-9006100000-e1c5091711aecf4024282017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 10V, Positive-QTOFsplash10-0570-0006900000-307dc1439e874bb846af2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 20V, Positive-QTOFsplash10-0py0-1019200000-8fc1e40b35fdf86f394d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 40V, Positive-QTOFsplash10-0a4i-9420000000-2445c9d415330881e8122021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 10V, Negative-QTOFsplash10-00di-0000900000-0623dfba8c40bac80a342021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 20V, Negative-QTOFsplash10-05fr-0001900000-70b6a2080984f38397c62021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid 40V, Negative-QTOFsplash10-096r-1009200000-60d082fb95558f8479732021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen LocationsNot Available
Tissue Locations
  • Gall Bladder
  • Intestine
  • Kidney
  • Liver
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021995
KNApSAcK IDNot Available
Chemspider ID4446990
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID5366
PubChem Compound5283902
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceAggarwal, Suresht K.; Batta, Ashok K.; Salen, Gerald; Shefer, Sarah. Synthesis of 3a,6b,7a,12b- and 3a,6b,7b,12b-tetrahydroxy-5b-cholanoic acids. Steroids (1992), 57(3), 107-11.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Aggarwal SK, Batta AK, Salen G, Shefer S: Synthesis of 3 alpha,6 beta,7 alpha,12 beta- and 3 alpha,6 beta,7 beta,12 beta-tetrahydroxy-5 beta-cholanoic acids. Steroids. 1992 Mar;57(3):107-11. [PubMed:1621264 ]
  2. (). Ashok K. Batta, Suresht K. Aggarwal & Gerald Salen. High-Performance Liquid Chromatography of Bile Acids Effect of Hydroxyl Groups at C-3, 6 7 and 12 on Bile Acid Mobility. Journal of Liquid Chromatography (1992), 15(3), 467-78. . .

Enzymes

General function:
Involved in binding
Specific function:
Ileal protein which stimulates gastric acid and pepsinogen secretion. Seems to be able to bind to bile salts and bilirubins. Isoform 2 is essential for the survival of colon cancer cells to bile acid-induced apoptosis
Gene Name:
FABP6
Uniprot ID:
P51161
Molecular weight:
14371.2
References
  1. Kurz M, Brachvogel V, Matter H, Stengelin S, Thuring H, Kramer W: Insights into the bile acid transportation system: the human ileal lipid-binding protein-cholyltaurine complex and its comparison with homologous structures. Proteins. 2003 Feb 1;50(2):312-28. [PubMed:12486725 ]

Transporters

General function:
Involved in transporter activity
Specific function:
Mediates the Na(+)-independent transport of organic anions such as 17-beta-glucuronosyl estradiol, taurocholate, triiodothyronine (T3), leukotriene C4, dehydroepiandrosterone sulfate (DHEAS), methotrexate and sulfobromophthalein (BSP)
Gene Name:
SLCO1B3
Uniprot ID:
Q9NPD5
Molecular weight:
77402.2
General function:
Involved in transporter activity
Specific function:
Mediates the Na(+)-independent transport of organic anions such as pravastatin, taurocholate, methotrexate, dehydroepiandrosterone sulfate, 17-beta-glucuronosyl estradiol, estrone sulfate, prostaglandin E2, thromboxane B2, leukotriene C3, leukotriene E4, thyroxine and triiodothyronine. May play an important role in the clearance of bile acids and organic anions from the liver
Gene Name:
SLCO1B1
Uniprot ID:
Q9Y6L6
Molecular weight:
76448.0
References
  1. Michalski C, Cui Y, Nies AT, Nuessler AK, Neuhaus P, Zanger UM, Klein K, Eichelbaum M, Keppler D, Konig J: A naturally occurring mutation in the SLC21A6 gene causing impaired membrane localization of the hepatocyte uptake transporter. J Biol Chem. 2002 Nov 8;277(45):43058-63. Epub 2002 Aug 23. [PubMed:12196548 ]
General function:
Involved in ATP binding
Specific function:
May act as an inducible transporter in the biliary and intestinal excretion of organic anions. Acts as an alternative route for the export of bile acids and glucuronides from cholestatic hepatocytes
Gene Name:
ABCC3
Uniprot ID:
O15438
Molecular weight:
169341.1
General function:
Involved in ATP binding
Specific function:
Involved in the ATP-dependent secretion of bile salts into the canaliculus of hepatocytes
Gene Name:
ABCB11
Uniprot ID:
O95342
Molecular weight:
146405.8
General function:
Involved in bile acid:sodium symporter activity
Specific function:
Plays a critical role in the sodium-dependent reabsorption of bile acids from the lumen of the small intestine. Plays a key role in cholesterol metabolism
Gene Name:
SLC10A2
Uniprot ID:
Q12908
Molecular weight:
37697.4
References
  1. Kramer W, Girbig F, Glombik H, Corsiero D, Stengelin S, Weyland C: Identification of a ligand-binding site in the Na+/bile acid cotransporting protein from rabbit ileum. J Biol Chem. 2001 Sep 21;276(38):36020-7. Epub 2001 Jul 10. [PubMed:11447228 ]
General function:
Involved in bile acid:sodium symporter activity
Specific function:
The hepatic sodium/bile acid uptake system exhibits broad substrate specificity and transports various non-bile acid organic compounds as well. It is strictly dependent on the extracellular presence of sodium.
Gene Name:
SLC10A1
Uniprot ID:
Q14973
Molecular weight:
38118.64
General function:
Involved in transporter activity
Specific function:
Mediates the Na(+)-independent transport of organic anions such as sulfobromophthalein (BSP) and conjugated (taurocholate) and unconjugated (cholate) bile acids
Gene Name:
SLCO1A2
Uniprot ID:
P46721
Molecular weight:
74144.1
General function:
Involved in transporter activity
Specific function:
Mediates the Na(+)-independent transport of organic anions such as the thyroid hormones T3 (triiodo-L-thyronine), T4 (thyroxine) and rT3, and of estrone-3-sulfate and taurocholate
Gene Name:
SLCO4A1
Uniprot ID:
Q96BD0
Molecular weight:
77192.5