2.0 2012-05-31 14:51:19 -0600 2015-06-03 17:20:19 -0600 ECMDB20573 M2MDB001376 L-Ala-D-Glu-meso-A2pm L-ala-D-glu-meso-a2pm is a member of the chemical class known as Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. L-ALA-D-GLU-MESOA2PM C15H26N4O8 390.3889 390.175063828 (2R,6S)-2-amino-6-{[(4R)-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}heptanedioic acid (2R,6S)-2-amino-6-{[(4R)-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}heptanedioic acid [H][C@@](C)(N)C(O)=N[C@]([H])(CCC(O)=N[C@@]([H])(CCC[C@@]([H])(N)C(O)=O)C(O)=O)C(O)=O InChI=1S/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/t7-,8+,9-,10+/m0/s1 FMNCPUGORYYCEM-QCLAVDOMSA-N Cytoplasm Periplasm logp -3.71 ALOGPS logs -3.17 ALOGPS solubility 2.66e-01 g/l ALOGPS logp -5.7 ChemAxon pka_strongest_acidic 1.91 ChemAxon pka_strongest_basic 9.85 ChemAxon iupac (2R,6S)-2-amino-6-{[(4R)-4-{[(2S)-2-amino-1-hydroxypropylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}heptanedioic acid ChemAxon average_mass 390.3889 ChemAxon mono_mass 390.175063828 ChemAxon smiles [H][C@@](C)(N)C(O)=N[C@]([H])(CCC(O)=N[C@@]([H])(CCC[C@@]([H])(N)C(O)=O)C(O)=O)C(O)=O ChemAxon formula C15H26N4O8 ChemAxon inchi InChI=1S/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/t7-,8+,9-,10+/m0/s1 ChemAxon inchikey FMNCPUGORYYCEM-QCLAVDOMSA-N ChemAxon polar_surface_area 229.12 ChemAxon refractivity 90.07 ChemAxon polarizability 37.83 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1083530 Specdb::NmrOneD 267388 Specdb::NmrOneD 267389 Specdb::NmrOneD 267390 Specdb::NmrOneD 267391 Specdb::NmrOneD 267392 Specdb::NmrOneD 267393 Specdb::NmrOneD 267394 Specdb::NmrOneD 267395 Specdb::NmrOneD 267396 Specdb::NmrOneD 267397 Specdb::NmrOneD 267398 Specdb::NmrOneD 267399 Specdb::NmrOneD 267400 Specdb::NmrOneD 267401 Specdb::NmrOneD 267402 Specdb::NmrOneD 267403 Specdb::NmrOneD 267404 Specdb::NmrOneD 267405 Specdb::NmrOneD 267406 Specdb::NmrOneD 267407 Specdb::MsMs 24014 Specdb::MsMs 24015 Specdb::MsMs 24016 Specdb::MsMs 30812 Specdb::MsMs 30813 Specdb::MsMs 30814 25203562 26325831 L-ALA-D-GLU-MESOA2PM MHI 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 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 Dipeptide transport system permease protein dppB P0AEF8 DPPB_ECOLI dppB http://ecmdb.ca/proteins/P0AEF8.xml Dipeptide transport system permease protein dppC P0AEG1 DPPC_ECOLI dppC http://ecmdb.ca/proteins/P0AEG1.xml Oligopeptide transport system permease protein oppB P0AFH2 OPPB_ECOLI oppB http://ecmdb.ca/proteins/P0AFH2.xml Oligopeptide transport system permease protein oppC P0AFH6 OPPC_ECOLI oppC http://ecmdb.ca/proteins/P0AFH6.xml UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-meso-diaminopimelate ligase P37773 MPL_ECOLI mpl http://ecmdb.ca/proteins/P37773.xml Dipeptide transport system permease protein dppB P0AEF8 DPPB_ECOLI dppB http://ecmdb.ca/proteins/P0AEF8.xml Dipeptide transport system permease protein dppC P0AEG1 DPPC_ECOLI dppC http://ecmdb.ca/proteins/P0AEG1.xml Oligopeptide transport system permease protein oppB P0AFH2 OPPB_ECOLI oppB http://ecmdb.ca/proteins/P0AFH2.xml Oligopeptide transport system permease protein oppC P0AFH6 OPPC_ECOLI oppC http://ecmdb.ca/proteins/P0AFH6.xml Peptide transport system permease protein sapB P0AGH3 SAPB_ECOLI sapB http://ecmdb.ca/proteins/P0AGH3.xml Peptide transport system permease protein sapC P0AGH5 SAPC_ECOLI sapC http://ecmdb.ca/proteins/P0AGH5.xml Dipeptide and tripeptide permease B P36837 DTPB_ECOLI dtpB http://ecmdb.ca/proteins/P36837.xml Probable dipeptide and tripeptide permease YjdL P39276 YJDL_ECOLI yjdL http://ecmdb.ca/proteins/P39276.xml Dipeptide permease D P75742 DTPD_ECOLI dtpD http://ecmdb.ca/proteins/P75742.xml Dipeptide and tripeptide permease A P77304 DTPA_ECOLI dtpA http://ecmdb.ca/proteins/P77304.xml UDP-N-Acetylmuraminate + L-Ala-D-Glu-meso-A2pm + Adenosine triphosphate > Hydrogen ion + UDP-N-Acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate + ADP + Phosphate RXN0-2361 Adenosine triphosphate + L-Ala-D-Glu-meso-A2pm + Water > L-Ala-D-Glu-meso-A2pm + ADP + Phosphate + Hydrogen ion TRANS-RXN0-268 Adenosine triphosphate + L-Ala-D-Glu-meso-A2pm + Water > L-Ala-D-Glu-meso-A2pm + ADP + Phosphate + Hydrogen ion TRANS-RXN0-268