1.0 2016-05-22 03:24:40 UTC 2026-05-14 18:24:18 UTC Chenodeoxycholic acid SmallMolecule Chenodeoxycholic acid (C24H40O4) is a compound with an average molecular weight of 392.57 g/mol. Chenodeoxycholic acid belongs to the bile acids, alcohols and derivatives, a subclass of steroids and steroid derivatives within the organic compounds. It serves as a biological ligand (PMC3676171). The compound is found in or released from 25 recorded sources, including drinking water and water supply. Within healthcare, pharmaceuticals and veterinary products, it is used in bile therapy. Other recorded sources include food, food processing and cookware—specifically the processing of meats, food preservation, and fermentation processes for beer and the preparation of wine or sparkling wine—as well as household cleaning and consumer products such as soap detergents, perfumes within detergents and soaps, tobacco smoke filters, tobacco product cases, and cigar cigarettes. Additionally, it is associated with electrical and electronic equipment, including antennas, amplifiers, electric switches, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials. The recorded exposure route for this compound is oral. Chenodeoxycholic acid interacts with four recorded protein targets, acting as an agonist, antagonist, or substrate of the bile acid receptor (NR1H4), the G-protein coupled bile acid receptor 1 (GPBAR1), the nuclear receptor subfamily 1 group I member 2 (NR1I2), and the aldo-keto reductase family 1 member C2 (AKR1C2). Regarding health effects, the compound is associated with cholestasis (PMC9488005) and has been observed to decrease in the blood in cases of pancreatic cancer (PMC7399932). C24H40O4 392.572 392.292659768 (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid 474-25-9 [H][C@@]1(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@H](C)CCC(O)=O InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 RUDATBOHQWOJDD-BSWAIDMHSA-N Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Dihydroxy bile acids, alcohols and derivatives 3-alpha-hydroxysteroids 7-hydroxysteroids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 3-alpha-hydroxysteroid 3-hydroxysteroid 7-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Dihydroxy bile acid, alcohol, or derivatives Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds C24 bile acids, alcohols, and derivatives C24 bile acids, alcohols, and derivatives Cholane and derivatives bile acid dihydroxy-5beta-cholanic acid Detected and Not Quantified Bile Acid Biosynthesis SMP0000035 Congenital Bile Acid Synthesis Defect Type II SMP0000314 Congenital Bile Acid Synthesis Defect Type III SMP0000318 Zellweger Syndrome SMP0000316 Cerebrotendinous Xanthomatosis (CTX) SMP0000315 27-Hydroxylase Deficiency SMP0000720 Congenital Bile Acid Synthesis Defect Type II SMP0125689 Congenital Bile Acid Synthesis Defect Type III SMP0125690 Familial Hypercholanemia (FHCA) SMP0125695 Zellweger Syndrome SMP0125696 Cerebrotendinous Xanthomatosis (CTX) SMP0125697 Chenodeoxycholic acid Drug Metabolism Action Pathway SMP0144117 logp 3.71 logp 3.01 ALOGPS logs -4.30 ALOGPS solubility 1.97e-02 g/l ALOGPS logp 3.71 ChemAxon pka_strongest_acidic 4.6 ChemAxon pka_strongest_basic -0.54 ChemAxon iupac (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid ChemAxon average_mass 392.572 ChemAxon mono_mass 392.292659768 ChemAxon smiles [H][C@@]1(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@H](C)CCC(O)=O ChemAxon formula C24H40O4 ChemAxon inchi InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 ChemAxon inchikey RUDATBOHQWOJDD-BSWAIDMHSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 109.27 ChemAxon polarizability 46.35 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72270e5470> DB06777 10133 9728 BE0001777 BE0000956 BE0005788 BE0000622