1.0 2016-10-03 18:13:19 UTC 2020-05-05 18:40:33 UTC BMDB0011131 BMDB11131 MG(18:0/0:0/0:0) (2S)-2,3-Dihydroxypropyl octadecanoate (S)-(+)-1-O-Stearoylglycerol (S)-1-Monostearin 1-Octadecanoyl-sn-glycerol MG (18:0/0:0/0:0) sn-1-Octadecanoyl-monoglyceride (2S)-2,3-Dihydroxypropyl octadecanoic acid 1-Monoacylglyceride 1-Monoacylglycerol 1-Octadecanoyl-rac-glycerol 1-Stearoyl-glycerol a-Monoacylglycerol alpha-Monoacylglycerol MAG(18:0) MAG(18:0/0:0) MG(18:0) MG(18:0/0:0) Glycerol 1-octadecanoate 1-Octadecanoylglycerol Glyceryl monostearate Glycerol 1-octadecanoic acid Glyceryl monostearic acid (1)-2,3-Dihydroxypropyl stearate 1,2,3-Propanetriol 1-octadecanoyl ester 1,2,3-Propanetriol monooctadecanoate 1,2,3-Propanetriol, homopolymer, isooctadecanoate 1-Glyceryl stearate 1-mono-Stearin 1-Monooctadecanoyl-rac-glycerol 1-Monostearin 1-Monostearoylglycerol 1-O-Octadecanoylglycerol 1-O-Stearoylglycerol 1-Stearoyl-rac-glycerol 2,3-Dihydroxypropyl stearate 3-Stearoyloxy-1,2-propanediol a-Monostearin alpha-Monostearin Cefatin Dermagine FEMA 2527 Glycerin 1-monostearate Glycerin 1-stearate Glycerol 1-monostearate Glycerol 1-stearate Glycerol alpha -monostearate Glycerol alpha -sterate Glycerol alpha-monostearate Glyceryl 1-monostearate Glyceryl-1-monostearate Octadecanoic acid 2,3-dihydroxypropyl ester Octadecanoic acid, 2,3-dihydroxypropyl ester Octadecanoic acid, ester with 1,2,3-propanetriol Stearic acid 1-monoglyceride Stearic acid alpha -monoglyceride Stearic acid alpha-monoglyceride 1-Stearoylglycerol (±)-2,3-Dihydroxypropyl octadecanoate 1-Monooctadecanoylglycerol 1-O-Octadecanoyl-sn-glycerol 1-monostearoyl-rac-glycerol 2,3-Dihydroxypropyl octadecanoate Glycerol α-monostearate Glyceryl 1-octadecanoate Stearic acid α-monoglyceride α-Monostearin 1-GMS Octadecanoic acid-2,3-dihydroxypropyl ester Glycerol monostearate GMS C21H42O4 358.5558 358.308309832 (2S)-2,3-dihydroxypropyl octadecanoate (2S)-2,3-dihydroxypropyl octadecanoate 22610-61-3 [H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1 VBICKXHEKHSIBG-FQEVSTJZSA-N belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. Organic compounds Lipids and lipid-like molecules Glycerolipids Monoradylglycerols 1-monoacylglycerols 1,2-diols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols 1,2-diol 1-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 Secondary alcohol Aliphatic acyclic compounds 1-acyl-sn-glycerol 1-monostearoylglycerol Solid logp 6.73 ALOGPS logs -5.52 ALOGPS logp 5.97 ChemAxon pka_strongest_acidic 13.62 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S)-2,3-dihydroxypropyl octadecanoate ChemAxon average_mass 358.5558 ChemAxon mono_mass 358.308309832 ChemAxon smiles [H][C@](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C21H42O4 ChemAxon inchi InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1 ChemAxon inchikey VBICKXHEKHSIBG-FQEVSTJZSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 103.31 ChemAxon polarizability 46.48 ChemAxon rotatable_bond_count 20 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 39555 Specdb::CMs 162078 Specdb::NmrOneD 255548 Specdb::NmrOneD 255549 Specdb::NmrOneD 255550 Specdb::NmrOneD 255551 Specdb::NmrOneD 255552 Specdb::NmrOneD 255553 Specdb::NmrOneD 255554 Specdb::NmrOneD 255555 Specdb::NmrOneD 255556 Specdb::NmrOneD 255557 Specdb::NmrOneD 255558 Specdb::NmrOneD 255559 Specdb::NmrOneD 255560 Specdb::NmrOneD 255561 Specdb::NmrOneD 255562 Specdb::NmrOneD 255563 Specdb::NmrOneD 255564 Specdb::NmrOneD 255565 Specdb::NmrOneD 255566 Specdb::NmrOneD 255567 Specdb::MsMs 563602 Specdb::MsMs 563603 Specdb::MsMs 563604 Specdb::MsMs 1464068 Specdb::MsMs 1464069 Specdb::MsMs 1464070 Specdb::MsMs 2645769 Specdb::MsMs 2645770 Specdb::MsMs 2645771 Specdb::MsMs 2720268 Specdb::MsMs 2720269 Specdb::MsMs 2720270 Specdb::MsMs 2957892 Specdb::MsMs 2957893 Specdb::MsMs 2957894 Specdb::MsMs 3093766 Specdb::MsMs 3093767 Specdb::MsMs 3093768 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 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 FDB027910 10381543 15560610 75550