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(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate
Conjugate base of (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid.


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04. Bioactive Capabilities of Specific Chemicals : Ligases [EC:6] > Forming carbon—sulfur bonds [EC:6.2]
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08. Chemical Category: polyatomic entity [CHEBI:36357] > molecule [CHEBI:25367] > organic molecule [CHEBI:72695]
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04. Bioactive Capabilities of Specific Chemicals  
04. Bioactive Capabilities of Specific Chemicals
 Oxidoreductases [EC:1] (1697) 
 Acting on paired donors, with incorporation or reduction of molecular oxygen [EC:1.14] (587) 
 With NADH or NADPH as one donor, and incorporation of one atom of oxygen [EC:1.14.13] (391) 
 Cholestanetriol 26-monooxygenase [EC:1.14.13.15] (9) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 Ligases [EC:6] (206) 
 Forming carbon—sulfur bonds [EC:6.2] (61) 
 Acid—Thiol Ligases [EC:6.2.1] (61) 
 Cholate--CoA ligase [EC:6.2.1.7] (8) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
08. Chemical Category 
08. Chemical Category
 ion [CHEBI:24870] (4391) 
 anion [CHEBI:22563] (3454) 
 organic anion [CHEBI:25696] (3155) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 polyatomic anion [CHEBI:33273] (2028) 
 oxoanion [CHEBI:35406] (1950) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 organic ion [CHEBI:25699] (3577) 
 organic anion [CHEBI:25696] (3155) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 polyatomic ion [CHEBI:36358] (2633) 
 polyatomic anion [CHEBI:33273] (2028) 
 oxoanion [CHEBI:35406] (1950) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 oxide [CHEBI:25741] (2086) 
 oxoanion [CHEBI:35406] (1950) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 organic ion [CHEBI:25699] (3577) 
 organic anion [CHEBI:25696] (3155) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 cholanoid [CHEBI:36078] (45) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 steroid acid anion [CHEBI:50160] (34) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 polyatomic ion [CHEBI:36358] (2633) 
 polyatomic anion [CHEBI:33273] (2028) 
 oxoanion [CHEBI:35406] (1950) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
 heteroatomic molecular entity [CHEBI:37577] (13672) 
 oxide [CHEBI:25741] (2086) 
 oxoanion [CHEBI:35406] (1950) 
 carboxylic acid anion [CHEBI:29067] (1731) 
 monocarboxylic acid anion [CHEBI:35757] (912) 
 bile acid anion [CHEBI:36235] (11) 
 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate [CHEBI:58734] (1)
ChEBI Compound Accession Identifier  [CHEBI:58734]
ChEBI Compound Description  Conjugate base of (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid.
ChEBI Compound Identification Number  58734
ChEBI InChI Value  InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/p-1/t15-,16-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
ChEBI InChIKey Value  CNWPIIOQKZNXBB-WBYPBBSPSA-M
ChEBI Compound Name  (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oate
ChEBI SMILES Value  [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC[C@@H](C)C([O-])=O
ChEBI Substance ID  92741614
ChEBI URL  ChEBI:58734
ChemSpider ID  26331333
Ontomatica Chemical Accession Key (OnChAKey)  CNWPIIOQKZNXBB_WBYPBBSPSA_M_000_000000
PubChem Compound ID  45266747