1.0 2016-10-03 18:22:15 UTC 2020-05-11 20:42:34 UTC BMDB0011649 BMDB11649 1-(sn-Glycero-3-phospho)-1D-myo-inositol 3-Phosphoglyceroinositol Glyerophosphoinositol GroPIns sn-Glycero-3-phospho-1-inositol 1-(sn-Glycero-3-phospho)-1D-myo-inositol Glycerophosphoinositol alpha-Glycerophosphoryl inositol alpha-Glycerophosphorylinositol α-Glycerophosphoryl inositol α-Glycerophosphorylinositol C9H19O11P 334.2143 334.066497962 [(2R)-2,3-dihydroxypropoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid (2R)-2,3-dihydroxypropoxy([(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid 129830-95-1 OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1 BMVUIWJCUQSHLZ-UJGXJMNGSA-N belongs to the class of organic compounds known as glycerophosphoinositols. These are lipids containing a glycerol moiety carrying a phosphoinositol at the 3-position. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoinositols Glycerophosphoinositols Cyclohexanols Dialkyl phosphates Hydrocarbon derivatives Inositol phosphates Organic oxides Polyols Primary alcohols Alcohol Aliphatic homomonocyclic compound Alkyl phosphate Cyclic alcohol Cyclitol or derivatives Cyclohexanol Dialkyl phosphate Glycerophosphoinositol Hydrocarbon derivative Inositol phosphate Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Polyol Primary alcohol Secondary alcohol Aliphatic homomonocyclic compounds myo-inositol monophosphate derivative sn-glycerol 3-phosphates Solid logp -2.49 ALOGPS logs -0.91 ALOGPS logp -4.8 ChemAxon pka_strongest_acidic 1.83 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2R)-2,3-dihydroxypropoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid ChemAxon average_mass 334.2143 ChemAxon mono_mass 334.066497962 ChemAxon smiles OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O ChemAxon formula C9H19O11P ChemAxon inchi InChI=1S/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)/t3-,4-,5-,6+,7-,8-,9-/m1/s1 ChemAxon inchikey BMVUIWJCUQSHLZ-UJGXJMNGSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 63.38 ChemAxon polarizability 28.8 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 22905 Specdb::CMs 39741 Specdb::CMs 147860 Specdb::CMs 148967 Specdb::CMs 279646 Specdb::MsMs 29645 Specdb::MsMs 29646 Specdb::MsMs 29647 Specdb::MsMs 36203 Specdb::MsMs 36204 Specdb::MsMs 36205 Specdb::MsMs 2427589 Specdb::MsMs 2427590 Specdb::MsMs 2427591 Specdb::MsMs 2511079 Specdb::MsMs 2511080 Specdb::MsMs 2511081 Specdb::NmrOneD 93812 Specdb::NmrOneD 93813 Specdb::NmrOneD 93814 Specdb::NmrOneD 93815 Specdb::NmrOneD 93816 Specdb::NmrOneD 93817 Specdb::NmrOneD 93818 Specdb::NmrOneD 93819 Specdb::NmrOneD 93820 Specdb::NmrOneD 93821 Specdb::NmrOneD 93822 Specdb::NmrOneD 93823 Specdb::NmrOneD 93824 Specdb::NmrOneD 93825 Specdb::NmrOneD 93826 Specdb::NmrOneD 93827 Specdb::NmrOneD 93828 Specdb::NmrOneD 93829 Specdb::NmrOneD 93830 Specdb::NmrOneD 93831 Placenta 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 FDB011624 C01225 28184592 18321 CPD-541