1.0 2016-09-30 23:21:04 UTC 2020-05-21 16:27:03 UTC BMDB0006271 BMDB06271 Zymosterol intermediate 2 5alpha-Cholesta-8,24-dien-3beta-ol delta8,24-Cholestadien-3beta-ol Zymostrol 5a-Cholesta-8,24-dien-3b-ol 5Α-cholesta-8,24-dien-3β-ol delta8,24-Cholestadien-3b-ol Δ8,24-cholestadien-3β-ol Zymosterol intermediic acid 2 Δ8,24-cholestadien-3b-ol (3b,5a)- Cholesta-8,24-dien-3-ol Cholest-8,24-dien-3b-ol Cholesta-8,24-dien-3-ol Zymosterol C27H44O 384.6377 384.33921603 (2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol (2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol 128-33-6 [H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3 InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1 CGSJXLIKVBJVRY-XTGBIJOFSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic homopolycyclic compounds 3beta-sterol Cholesterol and derivatives Cholesterol and derivatives cholestanoid Solid melting_point 110 °C logp 6.51 ALOGPS logs -5.59 ALOGPS logp 6.66 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol ChemAxon average_mass 384.6377 ChemAxon mono_mass 384.33921603 ChemAxon smiles [H][C@@](C)(CCC=C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@]1([H])CC3 ChemAxon formula C27H44O ChemAxon inchi InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-21,23-24,28H,6,8-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1 ChemAxon inchikey CGSJXLIKVBJVRY-XTGBIJOFSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 121.2 ChemAxon polarizability 49.72 ChemAxon rotatable_bond_count 4 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::CMs 10728 Specdb::CMs 38986 Specdb::CMs 131936 Specdb::CMs 139670 Specdb::NmrOneD 315861 Specdb::NmrOneD 315862 Specdb::NmrOneD 315863 Specdb::NmrOneD 315864 Specdb::NmrOneD 315865 Specdb::NmrOneD 315866 Specdb::NmrOneD 315867 Specdb::NmrOneD 315868 Specdb::NmrOneD 315869 Specdb::NmrOneD 315870 Specdb::NmrOneD 315871 Specdb::NmrOneD 315872 Specdb::NmrOneD 315873 Specdb::NmrOneD 315874 Specdb::NmrOneD 315875 Specdb::NmrOneD 315876 Specdb::NmrOneD 315877 Specdb::NmrOneD 315878 Specdb::NmrOneD 315879 Specdb::NmrOneD 315880 Specdb::MsMs 179223 Specdb::MsMs 179224 Specdb::MsMs 179225 Specdb::MsMs 181548 Specdb::MsMs 181549 Specdb::MsMs 181550 Specdb::MsMs 2746606 Specdb::MsMs 2746607 Specdb::MsMs 2746608 Specdb::MsMs 2932278 Specdb::MsMs 2932279 Specdb::MsMs 2932280 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 Mammary Gland 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 Mammary Gland 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 FDB031258 83724 C05437 18252 92746 C00023749 1454806 Dolle, Roland E.; Schmidt, Stanley J.; Kruse, Lawrence I. Synthesis of zymosterol: salient intermediate of fungal and mammalian sterol biosynthesis. Journal of the Chemical Society, Chemical Communications (1988), (1), 19-21. BMDBP01333 EBP cholestenol delta-isomerase Q3ZBT8 EBP Enzyme BMDBP02110 24-dehydrocholesterol reductase A6QR14 DHCR24 Enzyme