2.0 2012-05-31 14:23:56 -0600 2015-06-03 17:19:10 -0600 ECMDB20033 M2MDB000882 2-(alpha-D-Mannosyl)-3-phosphoglycerate 2-(alpha-D-mannosyl)-3-phosphoglycerate is a member of the chemical class known as Hexoses. These are monosaccharides in which the sugar unit is a hexose. 2-(&alpha;-D-mannosyl)-3-phosphoglycerate 2-(&alpha;-D-mannosyl)-3-phosphoglyceric acid 2-(a-D-Mannosyl)-3-phosphoglycerate 2-(a-D-Mannosyl)-3-phosphoglyceric acid 2-(alpha-D-Mannosyl)-3-phosphoglycerate 2-(alpha-D-Mannosyl)-3-phosphoglyceric acid 2-(α-D-Mannosyl)-3-phosphoglycerate 2-(α-D-Mannosyl)-3-phosphoglyceric acid C9H17O12P 348.1978 348.04576252 3-(phosphonooxy)-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid 3-(phosphonooxy)-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid [H]C(COP(O)(O)=O)(O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O)C(O)=O InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4?,5-,6+,7+,9-/m1/s1 RJDBNSZFZDWPFL-WEDYNZIRSA-N Cytoplasm Periplasm logp -2.38 ALOGPS logs -1.10 ALOGPS solubility 2.75e+01 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 1.04 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-(phosphonooxy)-2-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanoic acid ChemAxon average_mass 348.1978 ChemAxon mono_mass 348.04576252 ChemAxon smiles [H]C(COP(O)(O)=O)(O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O)C(O)=O ChemAxon formula C9H17O12P ChemAxon inchi InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4?,5-,6+,7+,9-/m1/s1 ChemAxon inchikey RJDBNSZFZDWPFL-WEDYNZIRSA-N ChemAxon polar_surface_area 203.44 ChemAxon refractivity 63.67 ChemAxon polarizability 28.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Fructose and mannose metabolism ec00051 Collection of Reactions without pathways PW001891 Metabolic Specdb::CMs 1083408 Specdb::NmrOneD 281979 Specdb::NmrOneD 281980 Specdb::NmrOneD 281981 Specdb::NmrOneD 281982 Specdb::NmrOneD 281983 Specdb::NmrOneD 281984 Specdb::NmrOneD 281985 Specdb::NmrOneD 281986 Specdb::NmrOneD 281987 Specdb::NmrOneD 281988 Specdb::NmrOneD 281989 Specdb::NmrOneD 281990 Specdb::NmrOneD 281991 Specdb::NmrOneD 281992 Specdb::NmrOneD 281993 Specdb::NmrOneD 281994 Specdb::NmrOneD 281995 Specdb::NmrOneD 281996 Specdb::NmrOneD 281997 Specdb::NmrOneD 281998 Specdb::MsMs 26783 Specdb::MsMs 26784 Specdb::MsMs 26785 Specdb::MsMs 33341 Specdb::MsMs 33342 Specdb::MsMs 33343 443242 391505 C11516 16351 ALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 Putative mannosyl-3-phosphoglycerate phosphatase P76329 MPGP_ECOLI yedP http://ecmdb.ca/proteins/P76329.xml 2-(alpha-D-Mannosyl)-3-phosphoglycerate + Water + 2(alpha-D-mannosyl)-3-phosphoglycerate <> 2(alpha-D-Mannosyl)-D-glycerate + Phosphate R05790 2-(alpha-D-Mannosyl)-3-phosphoglycerate + Water > 2(alpha-D-Mannosyl)-D-glycerate + Phosphate PW_R005805