1.0 2011-09-21 00:05:29 UTC 2015-10-09 22:30:52 UTC FDB021935 3b-Hydroxy-5-cholenoic acid 3b-Hydroxy-5-cholenoic acid is a monohydroxy bile acid of endogenous origin. It is found in biologic fluids beginning in fetal life. (PMID 5567561; 4803245; 93138) Large amounts of 3 beta-hydroxy-5-cholenoic acid could be found in children with the syndrome of hepatic ductular hypoplasia (PMID 3987031) [HMDB] 3b-Hydroxy-5-cholenoate 3b-Hydroxy-5-cholenoic acid 3b-hydroxy-chol-5-en-24-oate 3b-hydroxy-chol-5-en-24-oic acid 3b-Hydroxychol-5-en-24-ate 3b-Hydroxychol-5-en-24-ic acid 3b-Hydroxychol-5-en-24-oate 3b-Hydroxychol-5-en-24-oic acid 3b-Hydroxychol-5-enoate 3b-Hydroxychol-5-enoic acid 3b-Hydroxycholenoate 3b-Hydroxycholenoic acid 3beta-Hydroxy-5-cholenic acid 3beta-Hydroxy-5-cholenoate 3beta-Hydroxy-5-cholenoic acid 3beta-Hydroxy-chol-5-en-24-oate 3beta-Hydroxy-chol-5-en-24-oic acid 3beta-Hydroxy-delta5-cholenic acid 3beta-Hydroxychol-5-en-24-oate 3beta-Hydroxychol-5-en-24-oic acid Cholenate Cholenic acid D5-Cholenate D5-Cholenic acid C24H38O3 374.5567 374.282095082 (4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid (4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid 5255-17-4 [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1 HIAJCGFYHIANNA-QIZZZRFXSA-N belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group. Monohydroxy bile acids, alcohols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Aliphatic homopolycyclic compounds 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Carbonyl compounds Carboxylic acids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives Monohydroxy bile acid, alcohol, or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol C24 bile acids, alcohols, and derivatives Solid logp 4.54 ALOGPS logs -5.02 ALOGPS solubility 3.54e-03 g/l ALOGPS logp 4.62 ChemAxon pka_strongest_acidic 4.83 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (4R)-4-[(1S,2R,5S,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-14-yl]pentanoic acid ChemAxon average_mass 374.5567 ChemAxon mono_mass 374.282095082 ChemAxon smiles [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C ChemAxon formula C24H38O3 ChemAxon inchi InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1 ChemAxon inchikey HIAJCGFYHIANNA-QIZZZRFXSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 108.53 ChemAxon polarizability 45.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1269 Specdb::NmrOneD 1326 Specdb::CMs 26488 Specdb::CMs 37417 Specdb::CMs 145846 Specdb::CMs 1057628 Specdb::CMs 1057630 Specdb::CMs 1057632 Specdb::CMs 1057634 Specdb::CMs 1057636 Specdb::MsMs 525 Specdb::MsMs 526 Specdb::MsMs 527 Specdb::MsMs 324727 Specdb::MsMs 324728 Specdb::MsMs 324729 Specdb::MsMs 373201 Specdb::MsMs 373202 Specdb::MsMs 373203 Specdb::MsMs 2399373 Specdb::MsMs 2399374 Specdb::MsMs 2399375 Specdb::MsMs 2536388 Specdb::MsMs 2536389 Specdb::MsMs 2536390 HMDB00308 #<Reference:0x000055ce3355f7d8> #<Reference:0x000055ce3355f620> #<Reference:0x000055ce3355f468> #<Reference:0x000055ce3355f2b0> #<Reference:0x000055ce3355f0f8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823