1.0 2016-09-30 22:45:40 UTC 2020-05-21 16:28:49 UTC BMDB0001419 BMDB01419 24-Hydroxycholesterol (24S)-Hydroxycholesterol 24S-Hydroxy-cholesterol Cerebrosterol Cholest-5-en-3beta,24S-diol Cholest-5-ene-3,24-diol (24S)-24-Hydroxycholesterol (24S)-Cholest-5-ene-3beta,24-diol Cholest-5-en-3b,24S-diol Cholest-5-en-3β,24S-diol (24S)-Cholest-5-ene-3b,24-diol (24S)-Cholest-5-ene-3β,24-diol 24(S)-Hydroxycholesterol 24S-Cholest-5-ene-3b,24-diol 24S-Hydroxycholesterol Cerebrosterin Cholest-5-ene-3b,24b-diol C27H46O2 402.6529 402.349780716 (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol 24(S)-hydroxycholesterol 474-73-7 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1 IOWMKBFJCNLRTC-XWXSNNQWSA-N 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. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Dihydroxy bile acids, alcohols and derivatives 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols 24-hydroxysteroid 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-5-steroid Dihydroxy bile acid, alcohol, or derivatives Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds 24-hydroxycholesterol Cholesterol and derivatives oxysterol Solid logp 5.70 ALOGPS logs -6.00 ALOGPS logp 5.8 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -0.95 ChemAxon iupac (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol ChemAxon average_mass 402.6529 ChemAxon mono_mass 402.349780716 ChemAxon smiles [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@H](O)C(C)C ChemAxon formula C27H46O2 ChemAxon inchi InChI=1S/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1 ChemAxon inchikey IOWMKBFJCNLRTC-XWXSNNQWSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 122.21 ChemAxon polarizability 51.14 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Bile Acid Biosynthesis SMP0087236 Specdb::CMs 15449 Specdb::CMs 38064 Specdb::CMs 166221 Specdb::MsMs 300223 Specdb::MsMs 300224 Specdb::MsMs 300225 Specdb::MsMs 342439 Specdb::MsMs 342440 Specdb::MsMs 342441 Specdb::MsMs 2743585 Specdb::MsMs 2743586 Specdb::MsMs 2743587 Specdb::MsMs 2935958 Specdb::MsMs 2935959 Specdb::MsMs 2935960 FDB022611 C13550 108790 121948 34310 2197434 Prasad V V; Ponticorvo L; Lieberman S Identification of 24-hydroxycholesterol in bovine adrenals in both free and esterified forms and in bovine brains as its sulfate ester. Journal of steroid biochemistry (1984), 21(6), 733-6. BMDBP00014 Lanosterol 14-alpha demethylase Q4PJW3 CYP51A1 Enzyme BMDBP00016 Cytochrome P450 3A28 P79102 CYP3A28 Enzyme