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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-09-22 18:35:06 UTC
HMDB IDHMDB0001199
Secondary Accession Numbers
  • HMDB01199
Metabolite Identification
Common NameN2-Succinyl-L-ornithine
DescriptionN2-Succinyl-L-ornithine 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. N2-Succinyl-L-ornithine exists in all living organisms, ranging from bacteria to humans. N2-Succinyl-L-ornithine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make N2-succinyl-L-ornithine a potential biomarker for the consumption of these foods. N2-Succinyl-L-ornithine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on N2-Succinyl-L-ornithine.
Structure
Data?1582752183
Synonyms
ValueSource
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acidChEBI
(2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoateGenerator
N(2)-SuccinylornithineMeSH, HMDB
Chemical FormulaC9H16N2O5
Average Molecular Weight232.2337
Monoisotopic Molecular Weight232.105921632
IUPAC Name(2S)-5-amino-2-(3-carboxypropanamido)pentanoic acid
Traditional NameN(2)-succinyl-L-ornithine
CAS Registry Number899816-95-6
SMILES
NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
InChI Identifier
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
InChI KeyVWXQFHJBQHTHMK-LURJTMIESA-N
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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-alpha amino acids
Alternative Parents
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 FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility19.3 g/LALOGPS
logP-3.4ALOGPS
logP-4.1ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.32ChemAxon
pKa (Strongest Basic)9.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity53.55 m³·mol⁻¹ChemAxon
Polarizability22.77 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+154.9131661259
DarkChem[M-H]-153.13231661259
AllCCS[M+H]+150.71632859911
AllCCS[M-H]-150.83132859911
DeepCCS[M+H]+148.56830932474
DeepCCS[M-H]-146.2130932474
DeepCCS[M-2H]-180.80130932474
DeepCCS[M+Na]+156.73730932474
AllCCS[M+H]+150.732859911
AllCCS[M+H-H2O]+147.432859911
AllCCS[M+NH4]+153.832859911
AllCCS[M+Na]+154.632859911
AllCCS[M-H]-150.832859911
AllCCS[M+Na-2H]-151.532859911
AllCCS[M+HCOO]-152.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N2-Succinyl-L-ornithineNCCC[C@H](NC(=O)CCC(O)=O)C(O)=O3232.4Standard polar33892256
N2-Succinyl-L-ornithineNCCC[C@H](NC(=O)CCC(O)=O)C(O)=O2128.9Standard non polar33892256
N2-Succinyl-L-ornithineNCCC[C@H](NC(=O)CCC(O)=O)C(O)=O2203.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N2-Succinyl-L-ornithine,1TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O2129.9Semi standard non polar33892256
N2-Succinyl-L-ornithine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCN)NC(=O)CCC(=O)O2094.6Semi standard non polar33892256
N2-Succinyl-L-ornithine,1TMS,isomer #3C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O2256.1Semi standard non polar33892256
N2-Succinyl-L-ornithine,1TMS,isomer #4C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN)C(=O)O2102.9Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O[Si](C)(C)C2172.0Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TMS,isomer #2C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O2301.7Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O)[Si](C)(C)C2097.4Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TMS,isomer #4C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C2270.8Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCN)N(C(=O)CCC(=O)O)[Si](C)(C)C2114.4Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TMS,isomer #6C[Si](C)(C)N(CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)[Si](C)(C)C2430.2Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TMS,isomer #7C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C2258.6Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #1C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2311.1Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #1C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2330.9Standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #1C[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2803.1Standard polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C2140.0Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C2222.9Standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C3213.0Standard polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2469.8Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2378.1Standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O3050.1Standard polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #4C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2235.0Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #4C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2378.9Standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #4C[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2859.4Standard polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CCC(=O)O2442.9Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CCC(=O)O2339.2Standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)CCC(=O)O2950.4Standard polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #6C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2249.5Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #6C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2323.9Standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #6C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2827.2Standard polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #7C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2408.2Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #7C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2384.8Standard non polar33892256
N2-Succinyl-L-ornithine,3TMS,isomer #7C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O3035.8Standard polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2465.7Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2388.2Standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2651.9Standard polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #2C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2236.9Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #2C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2368.1Standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #2C[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2498.4Standard polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2419.6Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2449.2Standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2736.8Standard polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2442.6Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2402.1Standard non polar33892256
N2-Succinyl-L-ornithine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2694.3Standard polar33892256
N2-Succinyl-L-ornithine,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2463.4Semi standard non polar33892256
N2-Succinyl-L-ornithine,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2436.5Standard non polar33892256
N2-Succinyl-L-ornithine,5TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2450.9Standard polar33892256
N2-Succinyl-L-ornithine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O2406.8Semi standard non polar33892256
N2-Succinyl-L-ornithine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN)NC(=O)CCC(=O)O2365.3Semi standard non polar33892256
N2-Succinyl-L-ornithine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O2514.7Semi standard non polar33892256
N2-Succinyl-L-ornithine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN)C(=O)O2355.1Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN)C(=O)O[Si](C)(C)C(C)(C)C2636.7Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2793.2Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O)[Si](C)(C)C(C)(C)C2608.4Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2735.6Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2607.9Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2876.7Semi standard non polar33892256
N2-Succinyl-L-ornithine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2754.4Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2954.1Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2849.6Standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2994.4Standard polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2843.9Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2773.1Standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3221.9Standard polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3150.5Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2887.4Standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3142.4Standard polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2983.0Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2844.7Standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3039.7Standard polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CCC(=O)O3098.1Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CCC(=O)O2864.1Standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CCC(=O)O3084.4Standard polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2951.6Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2807.1Standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C3023.5Standard polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3096.2Semi standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2874.3Standard non polar33892256
N2-Succinyl-L-ornithine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3145.3Standard polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3342.6Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3065.0Standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2974.3Standard polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3132.1Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3010.8Standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2928.2Standard polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3326.0Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3079.9Standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3024.3Standard polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C3303.0Semi standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C3046.5Standard non polar33892256
N2-Succinyl-L-ornithine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C3004.6Standard polar33892256
N2-Succinyl-L-ornithine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3525.8Semi standard non polar33892256
N2-Succinyl-L-ornithine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3222.0Standard non polar33892256
N2-Succinyl-L-ornithine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2943.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N2-Succinyl-L-ornithine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ff0-9610000000-1af67530deea92b41b8f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N2-Succinyl-L-ornithine GC-MS (2 TMS) - 70eV, Positivesplash10-0fk9-9503000000-ccfda4708de94e54a1c32017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N2-Succinyl-L-ornithine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 10V, Positive-QTOFsplash10-014i-1980000000-48dfa190961bff3d4c042015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 20V, Positive-QTOFsplash10-00kr-4910000000-147b5d055aa4df15832b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 40V, Positive-QTOFsplash10-05bu-9300000000-7753e2324c53fb1a9bbf2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 10V, Negative-QTOFsplash10-001i-1590000000-7220acde23393da31fcd2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 20V, Negative-QTOFsplash10-03yr-2930000000-54b93844adeb0598b8302015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 40V, Negative-QTOFsplash10-01p6-9400000000-2d2a7a13dc540aee65f12015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 10V, Negative-QTOFsplash10-001i-0290000000-db7660f1ec05b2bb726a2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 20V, Negative-QTOFsplash10-001i-0900000000-4b1a14f366c4d0264c292021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 40V, Negative-QTOFsplash10-052g-9200000000-118e5075d899afb630802021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 10V, Positive-QTOFsplash10-00lr-0590000000-4fdba4afafbe1d6124262021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 20V, Positive-QTOFsplash10-014i-2900000000-2ac0bb0ec091959fa9ca2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-ornithine 40V, Positive-QTOFsplash10-000i-9100000000-8517f2f0a72964c5c39a2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03582
Phenol Explorer Compound IDNot Available
FooDB IDFDB022485
KNApSAcK IDNot Available
Chemspider ID113025
KEGG Compound IDC03415
BioCyc IDN2-SUCCINYLORNITHINE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6075
PubChem Compound127370
PDB IDNot Available
ChEBI ID27574
Food Biomarker OntologyNot Available
VMH IDSUCORN
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available