2.02012-07-30 14:55:05 -06002015-06-03 17:20:58 -0600ECMDB21239M2MDB001647L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanineL-alanine-d-glutamate-meso-2,6-diaminoheptanedioate-d-alanine belongs to the class of 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. (inferred from compound structure)L-Alanine-D-glutamic acid-meso-2,6-diaminoheptanedioic acid-D-alanineC18H31N5O9461.4668461.2121776152-[(2-amino-1-hydroxypropylidene)amino]-6-({4-[(2-amino-1-hydroxypropylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)heptanedioic acid2-[(2-amino-1-hydroxypropylidene)amino]-6-({4-[(2-amino-1-hydroxypropylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)heptanedioic acidCC(N)C(O)=NC(CCCC(N=C(O)CCC(N=C(O)C(C)N)C(O)=O)C(O)=O)C(O)=OInChI=1S/C18H31N5O9/c1-8(19)14(25)22-11(17(29)30)5-3-4-10(16(27)28)21-13(24)7-6-12(18(31)32)23-15(26)9(2)20/h8-12H,3-7,19-20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)(H,29,30)(H,31,32)BAPAFFOXTCMVCC-UHFFFAOYSA-NCytosolExtra-organismPeriplasmlogp-3.37logs-3.41solubility1.79e-01 g/llogp-5.4pka_strongest_acidic3.09pka_strongest_basic9.87iupac2-[(2-amino-1-hydroxypropylidene)amino]-6-({4-[(2-amino-1-hydroxypropylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)heptanedioic acidaverage_mass461.4668mono_mass461.212177615smilesCC(N)C(O)=NC(CCCC(N=C(O)CCC(N=C(O)C(C)N)C(O)=O)C(O)=O)C(O)=OformulaC18H31N5O9inchiInChI=1S/C18H31N5O9/c1-8(19)14(25)22-11(17(29)30)5-3-4-10(16(27)28)21-13(24)7-6-12(18(31)32)23-15(26)9(2)20/h8-12H,3-7,19-20H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)(H,27,28)(H,29,30)(H,31,32)inchikeyBAPAFFOXTCMVCC-UHFFFAOYSA-Npolar_surface_area261.71refractivity107.89polarizability45.04rotatable_bond_count15acceptor_count14donor_count8physiological_charge0formal_charge0Specdb::CMs1083795Specdb::NmrOneD316101Specdb::NmrOneD316102Specdb::NmrOneD316103Specdb::NmrOneD316104Specdb::NmrOneD316105Specdb::NmrOneD316106Specdb::NmrOneD316107Specdb::NmrOneD316108Specdb::NmrOneD316109Specdb::NmrOneD316110Specdb::NmrOneD316111Specdb::NmrOneD316112Specdb::NmrOneD316113Specdb::NmrOneD316114Specdb::NmrOneD316115Specdb::NmrOneD316116Specdb::NmrOneD316117Specdb::NmrOneD316118Specdb::NmrOneD316119Specdb::NmrOneD316120Specdb::MsMs25838Specdb::MsMs25839Specdb::MsMs25840Specdb::MsMs32396Specdb::MsMs32397Specdb::MsMs3239846173126CPD0-2256N-acetylmuramoyl-L-alanine amidase AmiBP26365AMIB_ECOLIamiBhttp://ecmdb.ca/proteins/P26365.xmlProbable N-acetylmuramoyl-L-alanine amidase AmiAP36548AMIA_ECOLIamiAhttp://ecmdb.ca/proteins/P36548.xmlN-acetylmuramoyl-L-alanine amidase AmiCP63883AMIC_ECOLIamiChttp://ecmdb.ca/proteins/P63883.xmlMurein tetrapeptide carboxypeptidaseP76008LDCA_ECOLIldcAhttp://ecmdb.ca/proteins/P76008.xmlOligopeptide transport system permease protein oppBP0AFH2OPPB_ECOLIoppBhttp://ecmdb.ca/proteins/P0AFH2.xmlOligopeptide transport system permease protein oppCP0AFH6OPPC_ECOLIoppChttp://ecmdb.ca/proteins/P0AFH6.xmlOligopeptide transport ATP-binding protein oppFP77737OPPF_ECOLIoppFhttp://ecmdb.ca/proteins/P77737.xmlPeriplasmic oligopeptide-binding proteinP23843OPPA_ECOLIoppAhttp://ecmdb.ca/proteins/P23843.xmlOligopeptide transport ATP-binding protein oppDP76027OPPD_ECOLIoppDhttp://ecmdb.ca/proteins/P76027.xml1,6-anhydro-N-acetylmuramyl-L-alanine amidase AmpDP13016AMPD_ECOLIampDhttp://ecmdb.ca/proteins/P13016.xmlUDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-meso-diaminopimelate ligaseP37773MPL_ECOLImplhttp://ecmdb.ca/proteins/P37773.xmlOligopeptide transport system permease protein oppBP0AFH2OPPB_ECOLIoppBhttp://ecmdb.ca/proteins/P0AFH2.xmlOligopeptide transport system permease protein oppCP0AFH6OPPC_ECOLIoppChttp://ecmdb.ca/proteins/P0AFH6.xmlOligopeptide transport ATP-binding protein oppFP77737OPPF_ECOLIoppFhttp://ecmdb.ca/proteins/P77737.xmlOuter membrane protein NP77747OMPN_ECOLIompNhttp://ecmdb.ca/proteins/P77747.xmlPeriplasmic oligopeptide-binding proteinP23843OPPA_ECOLIoppAhttp://ecmdb.ca/proteins/P23843.xmlOuter membrane pore protein EP02932PHOE_ECOLIphoEhttp://ecmdb.ca/proteins/P02932.xmlOuter membrane protein FP02931OMPF_ECOLIompFhttp://ecmdb.ca/proteins/P02931.xmlOligopeptide transport ATP-binding protein oppDP76027OPPD_ECOLIoppDhttp://ecmdb.ca/proteins/P76027.xmlOuter membrane protein CP06996OMPC_ECOLIompChttp://ecmdb.ca/proteins/P06996.xmlAdenosine triphosphate + Water + L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine > L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine + ADP + Hydrogen ion + PhosphateAdenosine triphosphate + Water + L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine > L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine + ADP + Hydrogen ion + PhosphateN-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 acid1,6-Anhydrous-N-Acetylmuramyl-tetrapeptide + Water > L-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine + 1,6-Anhydro-N-acetylmuramateL-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine + Water > L-alanine-D-glutamate-meso-2,6-diaminoheptanedioate + D-AlanineL-Alanine-D-glutamate-meso-2,6-diaminoheptanedioate-D-alanine + Adenosine triphosphate + UDP-N-Acetylmuraminate > ADP + Hydrogen ion + Phosphate + UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate-D-alanine