2.0 2012-08-03 14:57:54 -0600 2015-09-13 12:56:16 -0600 ECMDB21401 M2MDB001796 N-Acetyl-L-aspartic acid N-Acetyl-L-aspartic acid is a derivative of aspartic acid. (Wikipedia) (2S)-2-acetamidobutanedioate (2S)-2-acetamidobutanedioic acid (S)-2-(acetylamino)butanedioate (S)-2-(acetylamino)butanedioic acid (S)-2-(acetylamino)Succinate (S)-2-(acetylamino)succinic acid Acetyl-l-aspartate Acetyl-l-aspartic acid Acetylaspartate Acetylaspartic acid L-n-acetylaspartate L-n-acetylaspartic acid N-Acetyl-L-aspartate N-acetyl-s-aspartate N-acetyl-s-aspartic acid N-acetylaspartate N-acetylaspartic acid NAA C6H9NO5 175.1394 175.048072403 (2S)-2-acetamidobutanedioic acid acetyl-L-aspartic acid 997-55-7 CC(=O)N[C@@H](CC(O)=O)C(O)=O InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 OTCCIMWXFLJLIA-BYPYZUCNSA-N Solid logp -0.79 ALOGPS logs -0.92 ALOGPS solubility 2.11e+01 g/l ALOGPS melting_point 137-140 oC logp -1.4 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic -2 ChemAxon iupac (2S)-2-acetamidobutanedioic acid ChemAxon average_mass 175.1394 ChemAxon mono_mass 175.048072403 ChemAxon smiles CC(=O)N[C@@H](CC(O)=O)C(O)=O ChemAxon formula C6H9NO5 ChemAxon inchi InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 ChemAxon inchikey OTCCIMWXFLJLIA-BYPYZUCNSA-N ChemAxon polar_surface_area 103.7 ChemAxon refractivity 35.98 ChemAxon polarizability 15.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 651 Specdb::CMs 652 Specdb::CMs 1326 Specdb::CMs 10695 Specdb::CMs 30634 Specdb::CMs 30635 Specdb::CMs 31234 Specdb::CMs 31708 Specdb::CMs 31709 Specdb::CMs 37780 Specdb::CMs 133754 Specdb::CMs 141488 Specdb::CMs 1077459 Specdb::CMs 1077461 Specdb::CMs 1077463 Specdb::CMs 1077465 Specdb::CMs 1077466 Specdb::CMs 1077468 Specdb::CMs 1077470 Specdb::CMs 1077472 Specdb::CMs 1077474 Specdb::CMs 1077476 Specdb::CMs 1077477 Specdb::NmrOneD 1272 Specdb::NmrOneD 1553 Specdb::NmrOneD 145430 Specdb::NmrOneD 145431 Specdb::NmrOneD 145432 Specdb::NmrOneD 145433 Specdb::NmrOneD 145434 Specdb::NmrOneD 145435 Specdb::NmrOneD 145436 Specdb::NmrOneD 145437 Specdb::NmrOneD 145438 Specdb::NmrOneD 145439 Specdb::NmrOneD 145440 Specdb::NmrOneD 145441 Specdb::NmrOneD 145442 Specdb::NmrOneD 145443 Specdb::NmrOneD 145444 Specdb::NmrOneD 145445 Specdb::NmrOneD 145446 Specdb::NmrOneD 145447 Specdb::NmrOneD 145448 Specdb::NmrOneD 145449 Specdb::NmrOneD 166428 Specdb::MsMs 1161 Specdb::MsMs 1162 Specdb::MsMs 1163 Specdb::MsMs 4691 Specdb::MsMs 4692 Specdb::MsMs 4693 Specdb::MsMs 4694 Specdb::MsMs 4695 Specdb::MsMs 289573 Specdb::MsMs 289574 Specdb::MsMs 289575 Specdb::MsMs 329023 Specdb::MsMs 329024 Specdb::MsMs 329025 Specdb::MsMs 437259 Specdb::MsMs 437260 Specdb::MsMs 437261 Specdb::MsMs 437262 Specdb::MsMs 437263 Specdb::MsMs 440085 Specdb::MsMs 451915 Specdb::MsMs 2236643 Specdb::MsMs 2236746 Specdb::MsMs 2237817 Specdb::MsMs 2238763 Specdb::NmrTwoD 1496 HMDB00812 65065 58576 C01042 21547 N-acetylaspartate Ishii, N., Nakahigashi, K., Baba, T., Robert, M., Soga, T., Kanai, A., Hirasawa, T., Naba, M., Hirai, K., Hoque, A., Ho, P. 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Stroke. 1992 Nov;23(11):1566-72. 1440704 http://hmdb.ca/system/metabolites/msds/000/000/730/original/HMDB00812.pdf?1358462437 48 mM Na2HPO4, 22 mM KH2PO4, 10 mM NaCl, 45 mM (NH4)2SO4, supplemented with 1 mM MgSO4, 1 mg/l thiamine·HCl, 5.6 mg/l CaCl2, 8 mg/l FeCl3, 1 mg/l MnCl2·4H2O, 1.7 mg/l ZnCl2, 0.43 mg/l CuCl2·2H2O, 0.6 mg/l CoCl2·2H2O and 0.6 mg/l Na2MoO4·2H2O. 4 g/L Gluco Bioreactor, pH controlled, O2 and CO2 controlled, dilution rate: 0.2/h 141.0 uM 0.0 37 oC BW25113 Stationary Phase, glucose limited 564000 0 Ishii, N., Nakahigashi, K., Baba, T., Robert, M., Soga, T., Kanai, A., Hirasawa, T., Naba, M., Hirai, K., Hoque, A., Ho, P. Y., Kakazu, Y., Sugawara, K., Igarashi, S., Harada, S., Masuda, T., Sugiyama, N., Togashi, T., Hasegawa, M., Takai, Y., Yugi, K., Arakawa, K., Iwata, N., Toya, Y., Nakayama, Y., Nishioka, T., Shimizu, K., Mori, H., Tomita, M. (2007). "Multiple high-throughput analyses monitor the response of E. coli to perturbations." Science 316:593-597. 17379776