2.0 2012-05-31 14:31:41 -0600 2015-06-03 17:19:28 -0600 ECMDB20179 M2MDB001026 N2-Succinyl-L-arginine N2-succinyl-l-arginine belongs to the class of Amino Fatty Acids. These are fatty acids contaning an amine group. (inferred from compound structure) N(2)-(3-Carboxypropanoyl)-L-arginine N(2)-Succinyl-L-arginine N(a)-Succinyl-L-arginine N(alpha)-Succinyl-L-arginine N(α)-Succinyl-L-arginine N-Succinyl-L-arginine N2-succinylarginine N2SucArg N<SUP>2</SUP>-succinylarginine NChemBio.2007.11-comp18 N~2~-(3-CARBOXYPROPANOYL)-L-ARGININE N~2~-SUCCINYLARGININE SUG C10H18N4O5 274.2737 274.127719706 (2S)-5-carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoic acid N2-succinyl-L-arginine [H][C@@](CCCNC(N)=N)(N=C(O)CCC(O)=O)C(O)=O InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1 UMOXFSXIFQOWTD-LURJTMIESA-N Cytosol logp -1.58 ALOGPS logs -2.97 ALOGPS solubility 2.97e-01 g/l ALOGPS logp -3 ChemAxon pka_strongest_acidic 3.32 ChemAxon pka_strongest_basic 12.16 ChemAxon iupac (2S)-5-carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoic acid ChemAxon average_mass 274.2737 ChemAxon mono_mass 274.127719706 ChemAxon smiles [H][C@@](CCCNC(N)=N)(N=C(O)CCC(O)=O)C(O)=O ChemAxon formula C10H18N4O5 ChemAxon inchi InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1 ChemAxon inchikey UMOXFSXIFQOWTD-LURJTMIESA-N ChemAxon polar_surface_area 169.09 ChemAxon refractivity 74.78 ChemAxon polarizability 26.29 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Arginine and proline metabolism ec00330 arginine degradation II (AST pathway) AST-PWY Specdb::CMs 1084459 Specdb::NmrOneD 325692 Specdb::NmrOneD 325693 Specdb::NmrOneD 325694 Specdb::NmrOneD 325695 Specdb::NmrOneD 325696 Specdb::NmrOneD 325697 Specdb::NmrOneD 325698 Specdb::NmrOneD 325699 Specdb::NmrOneD 325700 Specdb::NmrOneD 325701 Specdb::NmrOneD 325702 Specdb::NmrOneD 325703 Specdb::NmrOneD 325704 Specdb::NmrOneD 325705 Specdb::NmrOneD 325706 Specdb::NmrOneD 325707 Specdb::NmrOneD 325708 Specdb::NmrOneD 325709 Specdb::NmrOneD 325710 Specdb::NmrOneD 325711 Specdb::MsMs 23735 Specdb::MsMs 23736 Specdb::MsMs 23737 Specdb::MsMs 30533 Specdb::MsMs 30534 Specdb::MsMs 30535 439968 388993 C03296 17705 CPD-421 SUG Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. 22080510 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A Arginine N-succinyltransferase P0AE37 ASTA_ECOLI astA http://ecmdb.ca/proteins/P0AE37.xml N-succinylarginine dihydrolase P76216 ASTB_ECOLI astB http://ecmdb.ca/proteins/P76216.xml 2 Hydrogen ion + 2 Water + N2-Succinyl-L-arginine > Carbon dioxide +2 Ammonium + N2-Succinyl-L-ornithine L-Arginine + Succinyl-CoA <> Coenzyme A + Hydrogen ion + N2-Succinyl-L-arginine R00832 ARGININE-N-SUCCINYLTRANSFERASE-RXN Succinyl-CoA + L-Arginine <> Coenzyme A + N2-Succinyl-L-arginine R00832 N2-Succinyl-L-arginine + 2 Water <> N2-Succinyl-L-ornithine + Carbon dioxide +2 Ammonia R04189 L-Arginine + Succinyl-CoA > Hydrogen ion + N2-Succinyl-L-arginine + Coenzyme A ARGININE-N-SUCCINYLTRANSFERASE-RXN N2-Succinyl-L-arginine + Water > N2-Succinyl-L-ornithine + Ammonia + Carbon dioxide R04189 SUCCARGDIHYDRO-RXN Succinyl-CoA + L-Arginine > CoA + N2-Succinyl-L-arginine N2-Succinyl-L-arginine + 2 Water > N2-Succinyl-L-ornithine +2 Ammonia + Carbon dioxide L-Arginine + Succinyl-CoA <> Coenzyme A + Hydrogen ion + N2-Succinyl-L-arginine N2-Succinyl-L-arginine + 2 Water <> N2-Succinyl-L-ornithine + Carbon dioxide +2 Ammonia L-Arginine + Succinyl-CoA <> Coenzyme A + Hydrogen ion + N2-Succinyl-L-arginine N2-Succinyl-L-arginine + 2 Water <> N2-Succinyl-L-ornithine + Carbon dioxide +2 Ammonia