1.0 2016-09-30 22:19:00 UTC 2020-05-20 23:09:27 UTC BMDB0000052 BMDB00052 Argininosuccinic acid 2-(Nomega-L-arginino)succinate L-Argininosuccinate L-Argininosuccinic acid L-Arginosuccinic acid 2-(Nomega-L-arginino)succinic acid L-Arginosuccinate Argininosuccinate 2-(N(Omega)-L-arginine)succinate 2-(N(Omega)-L-arginine)succinic acid 2-(N(Omega)-L-arginino)succinate 2-(N(Omega)-L-arginino)succinic acid 2-(Nw-l-arginino)butanedioate 2-(Nw-l-arginino)butanedioic acid Arginosuccinate Arginosuccinic acid ASA N(Omega)-(L-arginino)succinate N(Omega)-(L-arginino)succinic acid N-(((4-Amino-4-carboxybutyl)amino)iminomethyl)-L-aspartate N-(((4-Amino-4-carboxybutyl)amino)iminomethyl)-L-aspartic acid N-(L-Arginino) succinate N-(L-Arginino) succinic acid N-(L-Arginino)succinate N-(L-Arginino)succinic acid N-[(4-Amino-4-carboxybutyl)amidino]-L-aspartate N-[(4-Amino-4-carboxybutyl)amidino]-L-aspartic acid N-[[(4-Amino-4-carboxybutyl)amino]iminomethyl]-L-aspartate N-[[(4-Amino-4-carboxybutyl)amino]iminomethyl]-L-aspartic acid Acid, argininosuccinic N-(4-Amino-4-carboxybutyl)amidino-L-aspartic acid C10H18N4O6 290.2731 290.122634328 (2S)-2-{N'-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid argininosuccinic acid 2387-71-5 N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 KDZOASGQNOPSCU-WDSKDSINSA-N belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aspartic acid and derivatives Amino acids Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Hydrocarbon derivatives L-alpha-amino acids Monoalkylamines Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Tricarboxylic acids and derivatives Aliphatic acyclic compound Alpha-amino acid Amine Amino acid Aspartic acid or derivatives Carbonyl group Carboximidamide Carboxylic acid Guanidine Hydrocarbon derivative L-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Propargyl-type 1,3-dipolar organic compound Tricarboxylic acid or derivatives Aliphatic acyclic compounds Other amino acids Solid logp -3.25 ALOGPS logs -2.80 ALOGPS logp -5.8 ChemAxon pka_strongest_acidic 2.14 ChemAxon pka_strongest_basic 12.39 ChemAxon iupac (2S)-2-{N'-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid ChemAxon average_mass 290.2731 ChemAxon mono_mass 290.122634328 ChemAxon smiles N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O ChemAxon formula C10H18N4O6 ChemAxon inchi InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1 ChemAxon inchikey KDZOASGQNOPSCU-WDSKDSINSA-N ChemAxon polar_surface_area 185.83 ChemAxon refractivity 75.31 ChemAxon polarizability 27.6 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1112 Specdb::CMs 858 Specdb::CMs 11925 Specdb::CMs 37267 Specdb::CMs 134041 Specdb::CMs 141775 Specdb::CMs 1048353 Specdb::CMs 1048355 Specdb::CMs 1048356 Specdb::CMs 1048358 Specdb::CMs 1048360 Specdb::CMs 1048362 Specdb::CMs 1048364 Specdb::CMs 1048366 Specdb::CMs 1048368 Specdb::CMs 1048370 Specdb::CMs 1048372 Specdb::CMs 1048373 Specdb::CMs 1048376 Specdb::CMs 1048378 Specdb::CMs 1048379 Specdb::CMs 1048381 Specdb::CMs 1048383 Specdb::CMs 1048385 Specdb::CMs 1048387 Specdb::CMs 1048389 Specdb::NmrOneD 1054 Specdb::NmrOneD 250728 Specdb::NmrOneD 250729 Specdb::NmrOneD 250730 Specdb::NmrOneD 250731 Specdb::NmrOneD 250732 Specdb::NmrOneD 250733 Specdb::NmrOneD 250734 Specdb::NmrOneD 250735 Specdb::NmrOneD 250736 Specdb::NmrOneD 250737 Specdb::NmrOneD 250738 Specdb::NmrOneD 250739 Specdb::NmrOneD 250740 Specdb::NmrOneD 250741 Specdb::NmrOneD 250742 Specdb::NmrOneD 250743 Specdb::NmrOneD 250744 Specdb::NmrOneD 250745 Specdb::NmrOneD 250746 Specdb::NmrOneD 250747 Specdb::MsMs 6191 Specdb::MsMs 6192 Specdb::MsMs 6193 Specdb::MsMs 6194 Specdb::MsMs 6195 Specdb::MsMs 6196 Specdb::MsMs 6197 Specdb::MsMs 6198 Specdb::MsMs 6199 Specdb::MsMs 6200 Specdb::MsMs 6201 Specdb::MsMs 6202 Specdb::MsMs 6203 Specdb::MsMs 6204 Specdb::MsMs 6205 Specdb::MsMs 6206 Specdb::MsMs 6207 Specdb::MsMs 6208 Specdb::MsMs 292258 Specdb::MsMs 292259 Specdb::MsMs 292260 Specdb::MsMs 332410 Specdb::MsMs 332411 Specdb::MsMs 332412 Specdb::MsMs 437142 Kidney Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Prostate Tissue Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C03406 FDB021885 16059 16950 15682 C00019688 Argininosuccinic acid L-ARGININO-SUCCINATE 41790 5115 Hagino, Koji; Nakanishi, Toshihide. Fermentative production of L-arginosuccinic acid. Jpn. Kokai Tokkyo Koho (1980), 3 pp. BMDBP00237 Argininosuccinate synthase P14568 ASS1 Enzyme BMDBP00238 Argininosuccinate lyase Q3SZJ0 ASL Enzyme