2.0 2012-08-03 14:57:55 -0600 2015-09-13 12:56:16 -0600 ECMDB21404 M2MDB001799 2,4-Diaminobutyric acid 2,4-Diaminobutyric acid is a diamino acid which is butyric acid with a hydrogen at position 2 and a hydrogen at position 4 replaced by amino groups. (ChEBI) (RS)-2,4-Diaminobutyrate (RS)-2,4-Diaminobutyric acid 2,4-diamino-butanoate 2,4-diamino-butanoic acid 2,4-diamino-Butyrate 2,4-diamino-butyric acid 2,4-diamino-N-Butyrate 2,4-Diamino-n-butyric acid 2,4-Diaminobutanoate 2,4-Diaminobutanoic acid 2,4-Diaminobutyrate a,g-Diaminobutyrate a,g-Diaminobutyric acid Alpha,gamma-Diaminobutyrate Alpha,gamma-Diaminobutyric acid DL-2,4-diamino-N-Butyrate DL-2,4-Diamino-n-butyric acid DL-2,4-Diaminobutanoate DL-2,4-Diaminobutanoic acid DL-2,4-Diaminobutyrate DL-2,4-Diaminobutyric acid DL-a,g-Diaminobutyrate DL-a,g-Diaminobutyric acid DL-alpha,gamma-Diaminobutyrate DL-alpha,gamma-Diaminobutyric acid DL-α,γ-Diaminobutyrate DL-α,γ-Diaminobutyric acid α,γ-Diaminobutyrate α,γ-Diaminobutyric acid C4H10N2O2 118.1344 118.074227574 2,4-diaminobutanoic acid 2,4-diaminobutanoic acid 305-62-4 NCCC(N)C(O)=O InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8) OGNSCSPNOLGXSM-UHFFFAOYSA-N Solid logp -3.66 ALOGPS logs 0.36 ALOGPS solubility 2.70e+02 g/l ALOGPS logp -4 ChemAxon pka_strongest_acidic 2.55 ChemAxon pka_strongest_basic 9.95 ChemAxon iupac 2,4-diaminobutanoic acid ChemAxon average_mass 118.1344 ChemAxon mono_mass 118.074227574 ChemAxon smiles NCCC(N)C(O)=O ChemAxon formula C4H10N2O2 ChemAxon inchi InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8) ChemAxon inchikey OGNSCSPNOLGXSM-UHFFFAOYSA-N ChemAxon polar_surface_area 89.34 ChemAxon refractivity 28.56 ChemAxon polarizability 11.79 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11325 Specdb::CMs 31972 Specdb::CMs 31973 Specdb::CMs 31974 Specdb::CMs 31975 Specdb::CMs 31976 Specdb::CMs 38391 Specdb::CMs 99770 Specdb::CMs 99771 Specdb::CMs 99772 Specdb::CMs 99773 Specdb::CMs 99774 Specdb::CMs 135412 Specdb::CMs 143146 Specdb::NmrOneD 1882 Specdb::NmrOneD 10362 Specdb::NmrOneD 10363 Specdb::NmrOneD 10364 Specdb::NmrOneD 10365 Specdb::NmrOneD 10366 Specdb::NmrOneD 10367 Specdb::NmrOneD 10368 Specdb::NmrOneD 10369 Specdb::NmrOneD 10370 Specdb::NmrOneD 10371 Specdb::NmrOneD 10372 Specdb::NmrOneD 10373 Specdb::NmrOneD 10374 Specdb::NmrOneD 10375 Specdb::NmrOneD 10376 Specdb::NmrOneD 10377 Specdb::NmrOneD 10378 Specdb::NmrOneD 10379 Specdb::NmrOneD 10380 Specdb::NmrOneD 10381 Specdb::NmrOneD 166584 Specdb::NmrOneD 166586 Specdb::MsMs 2083 Specdb::MsMs 2084 Specdb::MsMs 2085 Specdb::MsMs 291007 Specdb::MsMs 291008 Specdb::MsMs 291009 Specdb::MsMs 330814 Specdb::MsMs 330815 Specdb::MsMs 330816 Specdb::MsMs 2789272 Specdb::MsMs 2789273 Specdb::MsMs 2789274 Specdb::MsMs 2919248 Specdb::MsMs 2919249 Specdb::MsMs 2919250 Specdb::NmrTwoD 1819 HMDB02362 470 457 C03283 64307 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 Ronquist G, Hugosson R, Sjolander U, Ungerstedt U: Treatment of malignant glioma by a new therapeutic principle. Acta Neurochir (Wien). 1992;114(1-2):8-11. 1561943 http://hmdb.ca/system/metabolites/msds/000/001/945/original/HMDB02362.pdf?1358462460 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 33.0 uM 0.0 37 oC BW25113 Stationary Phase, glucose limited 132000 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