1.02011-09-21 01:53:55 UTC2015-07-21 06:59:41 UTCFDB0293202-HydroxymyristoylcarnitineA human metabolite taken as a putative food compound of mammalian origin [HMDB]C21H41NO5387.5539387.2984734273-[(2-hydroxytetradecanoyl)oxy]-4-(trimethylazaniumyl)butanoate3-[(2-hydroxytetradecanoyl)oxy]-4-(trimethylammonio)butanoateCCCCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)CInChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(23)21(26)27-18(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3WWDZVVWQNWNRDM-UHFFFAOYSA-NSolidlogp-0.36logs-6.38solubility1.83e-04 g/llogp0.27pka_strongest_acidic4.1pka_strongest_basic-3.8iupac3-[(2-hydroxytetradecanoyl)oxy]-4-(trimethylazaniumyl)butanoateaverage_mass387.5539mono_mass387.298473427smilesCCCCCCCCCCCCC(O)C(=O)OC(CC([O-])=O)C[N+](C)(C)CformulaC21H41NO5inchiInChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(23)21(26)27-18(16-20(24)25)17-22(2,3)4/h18-19,23H,5-17H2,1-4H3inchikeyWWDZVVWQNWNRDM-UHFFFAOYSA-Npolar_surface_area86.66refractivity129.37polarizability47.03rotatable_bond_count18acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::CMs40076Specdb::CMs159150Specdb::MsMs2303874Specdb::MsMs2303875Specdb::MsMs2303876Specdb::NmrOneD99038Specdb::NmrOneD99039Specdb::NmrOneD99040Specdb::NmrOneD99041Specdb::NmrOneD99042Specdb::NmrOneD99043Specdb::NmrOneD99044Specdb::NmrOneD99045Specdb::NmrOneD99046Specdb::NmrOneD99047Specdb::NmrOneD99048Specdb::NmrOneD99049Specdb::NmrOneD99050Specdb::NmrOneD99051Specdb::NmrOneD99052Specdb::NmrOneD99053Specdb::NmrOneD99054Specdb::NmrOneD99055Specdb::NmrOneD99056Specdb::NmrOneD99057HMDB13166