2.02012-08-03 14:57:54 -06002015-09-13 12:56:16 -0600ECMDB21401M2MDB001796N-Acetyl-L-aspartic acidN-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 acidAcetyl-l-aspartateAcetyl-l-aspartic acidAcetylaspartateAcetylaspartic acidL-n-acetylaspartateL-n-acetylaspartic acidN-Acetyl-L-aspartateN-acetyl-s-aspartateN-acetyl-s-aspartic acidN-acetylaspartateN-acetylaspartic acidNAAC6H9NO5175.1394175.048072403(2S)-2-acetamidobutanedioic acidacetyl-L-aspartic acid997-55-7CC(=O)N[C@@H](CC(O)=O)C(O)=OInChI=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/s1OTCCIMWXFLJLIA-BYPYZUCNSA-NSolidlogp-0.79logs-0.92solubility2.11e+01 g/lmelting_point137-140 oClogp-1.4pka_strongest_acidic3.41pka_strongest_basic-2iupac(2S)-2-acetamidobutanedioic acidaverage_mass175.1394mono_mass175.048072403smilesCC(=O)N[C@@H](CC(O)=O)C(O)=OformulaC6H9NO5inchiInChI=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/s1inchikeyOTCCIMWXFLJLIA-BYPYZUCNSA-Npolar_surface_area103.7refractivity35.98polarizability15.29rotatable_bond_count4acceptor_count5donor_count3physiological_charge-2formal_charge0Specdb::CMs651Specdb::CMs652Specdb::CMs1326Specdb::CMs10695Specdb::CMs30634Specdb::CMs30635Specdb::CMs31234Specdb::CMs31708Specdb::CMs31709Specdb::CMs37780Specdb::CMs133754Specdb::CMs141488Specdb::CMs1077459Specdb::CMs1077461Specdb::CMs1077463Specdb::CMs1077465Specdb::CMs1077466Specdb::CMs1077468Specdb::CMs1077470Specdb::CMs1077472Specdb::CMs1077474Specdb::CMs1077476Specdb::CMs1077477Specdb::NmrOneD1272Specdb::NmrOneD1553Specdb::NmrOneD145430Specdb::NmrOneD145431Specdb::NmrOneD145432Specdb::NmrOneD145433Specdb::NmrOneD145434Specdb::NmrOneD145435Specdb::NmrOneD145436Specdb::NmrOneD145437Specdb::NmrOneD145438Specdb::NmrOneD145439Specdb::NmrOneD145440Specdb::NmrOneD145441Specdb::NmrOneD145442Specdb::NmrOneD145443Specdb::NmrOneD145444Specdb::NmrOneD145445Specdb::NmrOneD145446Specdb::NmrOneD145447Specdb::NmrOneD145448Specdb::NmrOneD145449Specdb::NmrOneD166428Specdb::MsMs1161Specdb::MsMs1162Specdb::MsMs1163Specdb::MsMs4691Specdb::MsMs4692Specdb::MsMs4693Specdb::MsMs4694Specdb::MsMs4695Specdb::MsMs289573Specdb::MsMs289574Specdb::MsMs289575Specdb::MsMs329023Specdb::MsMs329024Specdb::MsMs329025Specdb::MsMs437259Specdb::MsMs437260Specdb::MsMs437261Specdb::MsMs437262Specdb::MsMs437263Specdb::MsMs440085Specdb::MsMs451915Specdb::MsMs2236643Specdb::MsMs2236746Specdb::MsMs2237817Specdb::MsMs2238763Specdb::NmrTwoD1496HMDB008126506558576C0104221547N-acetylaspartateIshii, 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):1566-72.1440704http://hmdb.ca/system/metabolites/msds/000/000/730/original/HMDB00812.pdf?135846243748 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 GlucoBioreactor, pH controlled, O2 and CO2 controlled, dilution rate: 0.2/h141.0uM0.037 oCBW25113Stationary Phase, glucose limited5640000Ishii, 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