1.0 2020-02-10 19:45:13 UTC 2020-05-11 20:49:46 UTC BMDB0063655 BMDB63655 D-Xylitol Eutrit Fluorette Klinit Kylit Meso-xylitol Wood sugar alcohol Xylisorb Xylisorb 300 Xylisorb 700 Xylit Xylitab 100 Xylitab 300 Xylitab DC Xylite Xylite (sugar) Xylitol C Xyliton Xylo-pentitol Xylitol C5H12O5 152.1458 152.068473494 (2R,4S)-pentane-1,2,3,4,5-pentol (2R,4S)-pentane-1,2,3,4,5-pentol OC[C@H](O)C(O)[C@H](O)CO InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? HEBKCHPVOIAQTA-NGQZWQHPSA-N belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Sugar alcohols Hydrocarbon derivatives Monosaccharides Polyols Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Hydrocarbon derivative Monosaccharide Polyol Primary alcohol Secondary alcohol Sugar alcohol Aliphatic acyclic compounds logp -2.53 ALOGPS logs 0.64 ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 12.76 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,4S)-pentane-1,2,3,4,5-pentol ChemAxon average_mass 152.1458 ChemAxon mono_mass 152.068473494 ChemAxon smiles OC[C@H](O)C(O)[C@H](O)CO ChemAxon formula C5H12O5 ChemAxon inchi InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5? ChemAxon inchikey HEBKCHPVOIAQTA-NGQZWQHPSA-N ChemAxon polar_surface_area 101.15 ChemAxon refractivity 32.44 ChemAxon polarizability 14.48 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1847 Specdb::CMs 1369 Specdb::CMs 16309 Specdb::CMs 31433 Specdb::CMs 31901 Specdb::CMs 32322 Specdb::CMs 38496 Specdb::CMs 123421 Specdb::NmrOneD 1912 Specdb::NmrOneD 91132 Specdb::NmrOneD 91133 Specdb::NmrOneD 91134 Specdb::NmrOneD 91135 Specdb::NmrOneD 91136 Specdb::NmrOneD 91137 Specdb::NmrOneD 91138 Specdb::NmrOneD 91139 Specdb::NmrOneD 91140 Specdb::NmrOneD 91141 Specdb::NmrOneD 91142 Specdb::NmrOneD 91143 Specdb::NmrOneD 91144 Specdb::NmrOneD 91145 Specdb::NmrOneD 91146 Specdb::NmrOneD 91147 Specdb::NmrOneD 91148 Specdb::NmrOneD 91149 Specdb::NmrOneD 91150 Specdb::NmrOneD 91151 Specdb::MsMs 2160 Specdb::MsMs 2161 Specdb::MsMs 2162 Specdb::MsMs 178428 Specdb::MsMs 178429 Specdb::MsMs 178430 Specdb::MsMs 180747 Specdb::MsMs 180748 Specdb::MsMs 180749 Specdb::MsMs 2226221 Specdb::MsMs 2240464 Specdb::MsMs 2241253 Specdb::MsMs 2244635 Specdb::MsMs 2245469 Specdb::MsMs 2246713 Specdb::MsMs 2247586 Specdb::MsMs 2248681 Specdb::MsMs 2249685 Specdb::MsMs 2250748 Specdb::MsMs 2251662 Specdb::MsMs 3388021 Specdb::MsMs 3388022 Specdb::MsMs 3388023 Specdb::MsMs 3388024 Specdb::MsMs 3388025 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 Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 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 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB030801 21391692 6912 1305691 C00052270 C00379 34810 Xylitol CPD-496