1.0 2020-05-05 15:49:43 UTC 2020-05-05 18:40:50 UTC BMDB0109677 Methylphosphate Dihydrogen methyl phosphate Methyl phosphate MMP Monomethyl dihydrogen phosphate Monomethyl phosphate O-Methyl phosphate Phosphoric acid monomethyl ester Dihydrogen methyl phosphoric acid Methyl phosphoric acid Monomethyl dihydrogen phosphoric acid Monomethyl phosphoric acid O-Methyl phosphoric acid Phosphate monomethyl ester Methylphosphoric acid Methyl dihydrogen phosphoric acid Methylphosphate Methyl dihydrogen phosphate CH5O4P 112.0218 111.99254516 methoxyphosphonic acid methyl phosphate 812-00-0 COP(O)(O)=O InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4) CAAULPUQFIIOTL-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Monoalkyl phosphates Hydrocarbon derivatives Organic oxides Organooxygen compounds Aliphatic acyclic compound Hydrocarbon derivative Monoalkyl phosphate Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds monoalkyl phosphate one-carbon compound logp -0.83 ALOGPS logs -0.64 ALOGPS logp -0.64 ChemAxon pka_strongest_acidic 1.83 ChemAxon iupac methoxyphosphonic acid ChemAxon average_mass 112.0218 ChemAxon mono_mass 111.99254516 ChemAxon smiles COP(O)(O)=O ChemAxon formula CH5O4P ChemAxon inchi InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4) ChemAxon inchikey CAAULPUQFIIOTL-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 19.13 ChemAxon polarizability 7.78 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -2 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::MsIr 10279 Specdb::MsIr 10280 Specdb::MsIr 10281 Specdb::CMs 955 Specdb::CMs 32356 Specdb::CMs 34073 Specdb::CMs 152326 Specdb::NmrOneD 64692 Specdb::NmrOneD 64693 Specdb::NmrOneD 64694 Specdb::NmrOneD 64695 Specdb::NmrOneD 64696 Specdb::NmrOneD 64697 Specdb::NmrOneD 64698 Specdb::NmrOneD 64699 Specdb::NmrOneD 64700 Specdb::NmrOneD 64701 Specdb::NmrOneD 64702 Specdb::NmrOneD 64703 Specdb::NmrOneD 64704 Specdb::NmrOneD 64705 Specdb::NmrOneD 64706 Specdb::NmrOneD 64707 Specdb::NmrOneD 64708 Specdb::NmrOneD 64709 Specdb::NmrOneD 64710 Specdb::NmrOneD 64711 Specdb::MsMs 104982 Specdb::MsMs 104983 Specdb::MsMs 104984 Specdb::MsMs 171375 Specdb::MsMs 171376 Specdb::MsMs 171377 Specdb::MsMs 2360249 Specdb::MsMs 2360250 Specdb::MsMs 2360251 Specdb::MsMs 2604881 Specdb::MsMs 2604882 Specdb::MsMs 2604883 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 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 12578 13130 340824