2.0 2012-07-30 14:55:06 -0600 2015-06-03 17:21:00 -0600 ECMDB21248 M2MDB001656 N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid N-acetyl-d-glucosamine(anhydrous)n-acetylmuramic acid belongs to the class of Hexoses. These are monosaccharides in which the sugar unit is a hexose. (inferred from compound structure) N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramate C19H30N2O12 478.4477 478.179874434 2-[(2-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy]propanoic acid 2-[(2-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy]propanoic acid CC(OC1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)C2COC(O2)C1N=C(C)O)C(O)=O InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6?,9-,10?,11-,12?,13-,14-,15?,16?,18?,19+/m1/s1 MWWQKONGFKUAEK-AJSMYUJSSA-N Cytosol Extra-organism Periplasm logp -1.28 ALOGPS logs -1.55 ALOGPS solubility 1.34e+01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 3.34 ChemAxon pka_strongest_basic 1.64 ChemAxon iupac 2-[(2-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy]propanoic acid ChemAxon average_mass 478.4477 ChemAxon mono_mass 478.179874434 ChemAxon smiles CC(OC1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)C2COC(O2)C1N=C(C)O)C(O)=O ChemAxon formula C19H30N2O12 ChemAxon inchi InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6?,9-,10?,11-,12?,13-,14-,15?,16?,18?,19+/m1/s1 ChemAxon inchikey MWWQKONGFKUAEK-AJSMYUJSSA-N ChemAxon polar_surface_area 209.32 ChemAxon refractivity 103.4 ChemAxon polarizability 45.47 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1085034 Specdb::EiMs 3717 Specdb::NmrOneD 307231 Specdb::NmrOneD 307232 Specdb::NmrOneD 307233 Specdb::NmrOneD 307234 Specdb::NmrOneD 307235 Specdb::NmrOneD 307236 Specdb::NmrOneD 307237 Specdb::NmrOneD 307238 Specdb::NmrOneD 307239 Specdb::NmrOneD 307240 Specdb::NmrOneD 307241 Specdb::NmrOneD 307242 Specdb::NmrOneD 307243 Specdb::NmrOneD 307244 Specdb::NmrOneD 307245 Specdb::NmrOneD 307246 Specdb::NmrOneD 307247 Specdb::NmrOneD 307248 Specdb::NmrOneD 307249 Specdb::NmrOneD 307250 Specdb::MsMs 25016 Specdb::MsMs 25017 Specdb::MsMs 25018 Specdb::MsMs 31574 Specdb::MsMs 31575 Specdb::MsMs 31576 45479497 N-acetylmuramoyl-L-alanine amidase AmiB P26365 AMIB_ECOLI amiB http://ecmdb.ca/proteins/P26365.xml Probable N-acetylmuramoyl-L-alanine amidase AmiA P36548 AMIA_ECOLI amiA http://ecmdb.ca/proteins/P36548.xml N-acetylmuramoyl-L-alanine amidase AmiC P63883 AMIC_ECOLI amiC http://ecmdb.ca/proteins/P63883.xml Beta-hexosaminidase P75949 NAGZ_ECOLI nagZ http://ecmdb.ca/proteins/P75949.xml 1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpD P13016 AMPD_ECOLI ampD http://ecmdb.ca/proteins/P13016.xml Protein AmpG P0AE16 AMPG_ECOLI ampG http://ecmdb.ca/proteins/P0AE16.xml Outer membrane protein N P77747 OMPN_ECOLI ompN http://ecmdb.ca/proteins/P77747.xml Outer membrane pore protein E P02932 PHOE_ECOLI phoE http://ecmdb.ca/proteins/P02932.xml Outer membrane protein F P02931 OMPF_ECOLI ompF http://ecmdb.ca/proteins/P02931.xml Outer membrane protein C P06996 OMPC_ECOLI ompC http://ecmdb.ca/proteins/P06996.xml N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramyl-tetrapeptide + Water > L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine + N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramyl-tripeptide + Water > L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate + N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid + Water > N-Acetyl-D-glucosamine + 1,6-Anhydro-N-acetylmuramate