Molecule Identification Common Name 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid Definition 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is also known as 3α,7β-dihydroxy-5β-cholest-24-en-26-Oate. 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is considered to be practically insoluble (in water) and acidic. 3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid is a bile acid lipid molecule Structure [H]\C(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C(\C)C(O)=O InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18+,19-,20-,21+,22+,23+,24+,26+,27-/m1/s1 Synonyms Value Source 3a,7b-Dihydroxy-5b-cholest-24-en-26-Oate Generator 3a,7b-Dihydroxy-5b-cholest-24-en-26-Oic acid Generator 3alpha,7beta-Dihydroxy-5beta-cholest-24-en-26-Oate Generator 3Α,7β-dihydroxy-5β-cholest-24-en-26-Oate Generator 3Α,7β-dihydroxy-5β-cholest-24-en-26-Oic acid Generator
Chemical Formula C27 H44 O4 Average Molecular Weight 432.645 Monoisotopic Molecular Weight 432.323959897 IUPAC Name (2E,6R)-6-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylhept-2-enoic acid Traditional Name (2E,6R)-6-[(1S,2S,5R,7S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylhept-2-enoic acid CAS Registry Number Not Available SMILES [H]\C(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C(\C)C(O)=O
InChI Identifier InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h7,16,18-24,28-29H,5-6,8-15H2,1-4H3,(H,30,31)/b17-7+/t16-,18+,19-,20-,21+,22+,23+,24+,26+,27-/m1/s1
InChI Key VEEPNZJORQZZNC-FLTYDXKWSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as dihydroxy bile acids, alcohols and derivatives. Dihydroxy bile acids, alcohols and derivatives are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Steroids and steroid derivatives Sub Class Bile acids, alcohols and derivatives Direct Parent Dihydroxy bile acids, alcohols and derivatives Alternative Parents Substituents Dihydroxy bile acid, alcohol, or derivatives
Steroid acid
3-hydroxysteroid
7-hydroxysteroid
7-alpha-hydroxysteroid
3-alpha-hydroxysteroid
Hydroxysteroid
Medium-chain fatty acid
Hydroxy fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Cyclic alcohol
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alcohol
Organooxygen compound
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors 
