1.0 2016-10-03 18:20:18 UTC 2020-05-11 19:18:17 UTC BMDB0011537 BMDB11537 MG(0:0/18:1(9Z)/0:0) 1,3-Dihydroxypropan-2-yl oleate 2-(9Z-Octadecenoyl)-glycerol 2-Glyceryl monooleate 2-mono-C18:1 2-Monoolein 2-Monooleoylglycerol 2-Oleoyl-glycerol UNII-9a2389K694 1,3-Dihydroxypropan-2-yl oleic acid 2-Glyceryl monooleic acid 1-Monoacylglyceride 1-Monoacylglycerol 2-(9Z-Octadecenoyl)-rac-glycerol 2-OG b-Monoacylglycerol beta-Monoacylglycerol MAG(0:0/18:1) MAG(0:0/18:1n9) MAG(0:0/18:1W9) MAG(18:1) MG(0:0/18:1) MG(0:0/18:1n9) MG(0:0/18:1W9) MG(18:1) 2-Oleoylglycerol 2-OG lipid 2-Oleyl glycerol ether C21H40O4 356.5399 356.292659768 1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate 2-oleoylglycerol 3443-84-3 [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- UPWGQKDVAURUGE-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 2-monoglyceride Monoacylglycerols monooleoylglycerol Solid logp 6.25 ALOGPS logs -5.33 ALOGPS logp 5.61 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate ChemAxon average_mass 356.5399 ChemAxon mono_mass 356.292659768 ChemAxon smiles [H]C(CO)(CO)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C21H40O4 ChemAxon inchi InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- ChemAxon inchikey UPWGQKDVAURUGE-KTKRTIGZSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 104.43 ChemAxon polarizability 44.89 ChemAxon rotatable_bond_count 19 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 32368 Specdb::CMs 39662 Specdb::CMs 99957 Specdb::CMs 135834 Specdb::CMs 143568 Specdb::MsMs 626755 Specdb::MsMs 626756 Specdb::MsMs 626757 Specdb::MsMs 1465598 Specdb::MsMs 1465599 Specdb::MsMs 1465600 Specdb::MsMs 2676109 Specdb::MsMs 2676110 Specdb::MsMs 2676111 Specdb::MsMs 2856699 Specdb::MsMs 2856700 Specdb::MsMs 2856701 Specdb::MsMs 3029321 Specdb::MsMs 3029322 Specdb::MsMs 3029323 Specdb::MsMs 3029621 Specdb::MsMs 3029622 Specdb::MsMs 3029623 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 Blood Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 Urine Samples collected from 16 multiparous Holstein cows Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. 25599412 FDB009514 4478086 5319879 73990 CPD0-1812