1.0 2016-09-30 23:26:37 UTC 2020-05-21 16:27:03 UTC BMDB0006839 BMDB06839 24,25-Dihydrolanosterol Lanostenol (3beta,20S)-Isomer OF lanostenol (3beta,5XI,14xi)-isomer OF lanostenol 5 alpha-Lanost-8-en-3 beta-ol C30H52O 428.7333 428.401816286 (2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol (2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol 79-62-9 [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3 InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 MBZYKEVPFYHDOH-BQNIITSRSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids 14-alpha-methylsteroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 14-alpha-methylsteroid 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Steroid Triterpenoid Aliphatic homopolycyclic compounds 3beta-sterol Cholesterol and derivatives Cholesterol and derivatives tetracyclic triterpenoid Solid logp 7.98 ALOGPS logs -6.45 ALOGPS logp 8.11 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac (2S,5S,7R,11R,14R,15R)-2,6,6,11,15-pentamethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol ChemAxon average_mass 428.7333 ChemAxon mono_mass 428.401816286 ChemAxon smiles [H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])CC3 ChemAxon formula C30H52O ChemAxon inchi InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1 ChemAxon inchikey MBZYKEVPFYHDOH-BQNIITSRSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 133.69 ChemAxon polarizability 55.82 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 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 Steroid Biosynthesis SMP0087233 Specdb::MsMs 74304 Specdb::MsMs 74305 Specdb::MsMs 74306 Specdb::MsMs 133659 Specdb::MsMs 133660 Specdb::MsMs 133661 Specdb::MsMs 2306529 Specdb::MsMs 2306530 Specdb::MsMs 2306531 Specdb::MsMs 3062261 Specdb::MsMs 3062262 Specdb::MsMs 3062263 Specdb::CMs 14805 Specdb::CMs 27304 Specdb::CMs 29013 Specdb::CMs 31741 Specdb::CMs 39111 Specdb::CMs 99936 Specdb::CMs 99937 Specdb::CMs 99938 Specdb::CMs 135716 Specdb::CMs 143450 Specdb::NmrOneD 303231 Specdb::NmrOneD 303232 Specdb::NmrOneD 303233 Specdb::NmrOneD 303234 Specdb::NmrOneD 303235 Specdb::NmrOneD 303236 Specdb::NmrOneD 303237 Specdb::NmrOneD 303238 Specdb::NmrOneD 303239 Specdb::NmrOneD 303240 Specdb::NmrOneD 303241 Specdb::NmrOneD 303242 Specdb::NmrOneD 303243 Specdb::NmrOneD 303244 Specdb::NmrOneD 303245 Specdb::NmrOneD 303246 Specdb::NmrOneD 303247 Specdb::NmrOneD 303248 Specdb::NmrOneD 303249 Specdb::NmrOneD 303250 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 FDB004614 389460 440560 C05109 28113 C00023781 CPD-8606 BMDBP02110 24-dehydrocholesterol reductase A6QR14 DHCR24 Enzyme