1.0 2016-10-03 18:20:36 UTC 2020-05-11 19:18:28 UTC BMDB0011552 BMDB11552 MG(0:0/22:1(13Z)/0:0) Glycerolipid 2-(13Z-Docosenoyl)-sn-glycerol Glycerolipid(0:0/22:1(13Z)/0:0) MG(0:0/22:1/0:0) MAG(0:0/22:1/0:0) C25H48O4 412.6462 412.355260024 1,3-dihydroxypropan-2-yl (13Z)-docos-13-enoate 1,3-dihydroxypropan-2-yl (13Z)-docos-13-enoate [H]C(CO)(CO)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9- TZDOBCZHGBGJLS-KTKRTIGZSA-N belongs to the class of organic compounds known as 2-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 2-position. Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 2-monoacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols 2-acyl-sn-glycerol Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds Solid logp 8.01 ALOGPS logs -6.30 ALOGPS logp 7.39 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl (13Z)-docos-13-enoate ChemAxon average_mass 412.6462 ChemAxon mono_mass 412.355260024 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C25H48O4 ChemAxon inchi InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9- ChemAxon inchikey TZDOBCZHGBGJLS-KTKRTIGZSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 122.83 ChemAxon polarizability 53.39 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 39676 Specdb::CMs 136334 Specdb::CMs 144068 Specdb::MsMs 594901 Specdb::MsMs 594902 Specdb::MsMs 594903 Specdb::MsMs 2663971 Specdb::MsMs 2663972 Specdb::MsMs 2663973 Specdb::MsMs 2866443 Specdb::MsMs 2866444 Specdb::MsMs 2866445 Specdb::MsMs 2943028 Specdb::MsMs 2943029 Specdb::MsMs 2943030 Specdb::MsMs 3015294 Specdb::MsMs 3015295 Specdb::MsMs 3015296 All Tissues 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 6438186 FDB028265