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Record Information
Version	2.0
Creation Date	2012-05-31 13:47:30 -0600
Update Date	2015-06-03 15:53:50 -0600
Secondary Accession Numbers	ECMDB01199
Identification
Name:	N2-Succinyl-L-ornithine
Description	N2-Succinyl-L-ornithine is a substrate for Ornithine aminotransferase (mitochondrial).
Structure	MOLSDFPDBSMILESInChI × Structure for #<Compound:0xa72af718> Close
Synonyms:	N2-Succinyl-L-ornithine N2-succinylornithine N2SucOrn N2-succinylornithine
Chemical Formula:	C9H16N2O5
Weight:	Average: 232.2337 Monoisotopic: 232.105921632
InChI Key:	VWXQFHJBQHTHMK-LURJTMIESA-N
InChI:	InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
CAS number:	899816-95-6
IUPAC Name:	(2S)-5-amino-2-(3-carboxypropanamido)pentanoic acid
Traditional IUPAC Name:	N(2)-succinyl-L-ornithine
SMILES:	NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
Chemical Taxonomy
Description	belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
Kingdom	Organic compounds
Super Class	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Sub Class	Amino acids, peptides, and analogues
Direct Parent	N-acyl-alpha amino acids
Alternative Parents	Fatty acids and conjugates Dicarboxylic acids and derivatives Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Substituents	N-acyl-alpha-amino acid Dicarboxylic acid or derivatives Fatty acid Amino acid Carboximidic acid Carboximidic acid derivative Carboxylic acid Organic 1,3-dipolar compound Propargyl-type 1,3-dipolar organic compound Amine Primary amine Organooxygen compound Organonitrogen compound Hydrocarbon derivative Primary aliphatic amine Organic oxide Organopnictogen compound Organic oxygen compound Organic nitrogen compound Carbonyl group Aliphatic acyclic compound
Molecular Framework	Aliphatic acyclic compounds
External Descriptors	N2-acyl-L-ornithine (CHEBI:27574 )
Physical Properties
State:	Solid
Charge:	-1
Melting point:	Not Available
Experimental Properties:	Property Value Source
Predicted Properties	Property Value Source Water Solubility 19.3 g/L ALOGPS logP -3.4 ALOGPS logP -4.1 ChemAxon logS -1.1 ALOGPS pKa (Strongest Acidic) 3.32 ChemAxon pKa (Strongest Basic) 9.9 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 129.72 Ų ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 53.55 m³·mol⁻¹ ChemAxon Polarizability 22.77 ų ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule Yes ChemAxon
Biological Properties
Cellular Locations:	Cytoplasm
Reactions:	2 Hydrogen ion + 2 Water + N2-Succinyl-L-arginine > Carbon dioxide +2 Ammonium + N2-Succinyl-L-ornithine alpha-Ketoglutarate + N2-Succinyl-L-ornithine <> L-Glutamate + N2-Succinyl-L-glutamic acid 5-semialdehyde N2-Succinyl-L-arginine + 2 Water <> N2-Succinyl-L-ornithine + Carbon dioxide +2 Ammonia N2-Succinyl-L-arginine + Water > N2-Succinyl-L-ornithine + Ammonia + Carbon dioxide N2-Succinyl-L-ornithine + Oxoglutaric acid > N2-Succinyl-L-glutamic acid 5-semialdehyde + L-Glutamate N2-Succinyl-L-arginine + 2 Water > N2-Succinyl-L-ornithine +2 Ammonia + Carbon dioxide N2-succinyl-L-arginine + 2 Water + 2 Hydrogen ion + N2-succinyl-L-arginine > Carbon dioxide +2 Ammonium + N2-Succinyl-L-ornithine N2-Succinyl-L-ornithine + Oxoglutaric acid > L-Glutamic acid + N2-Succinyl-L-glutamic acid 5-semialdehyde + L-Glutamate N2-Succinyl-L-arginine + 2 Water <> N2-Succinyl-L-ornithine + Carbon dioxide +2 Ammonia N2-Succinyl-L-arginine + 2 Water <> N2-Succinyl-L-ornithine + Carbon dioxide +2 Ammonia
SMPDB Pathways:	arginine metabolism PW000790
KEGG Pathways:	Arginine and proline metabolism ec00330
EcoCyc Pathways:	arginine degradation II (AST pathway) AST-PWY
Concentrations
	Not Available
Spectra
Spectra:	Spectrum Type Description Splash Key Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive splash10-0ff0-9610000000-1af67530deea92b41b8f View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive splash10-0fk9-9503000000-ccfda4708de94e54a1c3 View in MoNA Predicted GC-MS Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive Not Available View in JSpectraViewer Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-014i-1980000000-48dfa190961bff3d4c04 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-00kr-4910000000-147b5d055aa4df15832b View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-05bu-9300000000-7753e2324c53fb1a9bbf View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-001i-1590000000-7220acde23393da31fcd View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-03yr-2930000000-54b93844adeb0598b830 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-01p6-9400000000-2d2a7a13dc540aee65f1 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Negative splash10-001i-0290000000-db7660f1ec05b2bb726a View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Negative splash10-001i-0900000000-4b1a14f366c4d0264c29 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Negative splash10-052g-9200000000-118e5075d899afb63080 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 10V, Positive splash10-00lr-0590000000-4fdba4afafbe1d612426 View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 20V, Positive splash10-014i-2900000000-2ac0bb0ec091959fa9ca View in MoNA Predicted LC-MS/MS Predicted LC-MS/MS Spectrum - 40V, Positive splash10-000i-9100000000-8517f2f0a72964c5c39a View in MoNA 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer 1D NMR 1H NMR Spectrum Not Available View in JSpectraViewer 1D NMR 13C NMR Spectrum Not Available View in JSpectraViewer
References
References:	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. Pubmed: 22080510 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. Pubmed: 21097882 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. Pubmed: 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
Synthesis Reference:	Not Available
Material Safety Data Sheet (MSDS)	Not Available
Links
External Links:	Resource Link CHEBI ID 27574 HMDB ID HMDB01199 Pubchem Compound ID 920 Kegg ID C03415 ChemSpider ID 113025 Wikipedia ID Not Available BioCyc ID N2-SUCCINYLORNITHINE EcoCyc ID N2-SUCCINYLORNITHINE Ligand Expo SUO

Enzymes