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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:48:20 UTC
HMDB IDHMDB0001180
Secondary Accession Numbers
  • HMDB01180
Metabolite Identification
Common NameN2-Succinyl-L-glutamic acid 5-semialdehyde
DescriptionN2-Succinyl-L-glutamic acid 5-semialdehyde, also known as N-(3-carboxypropanoyl)-5-oxo-L-norvaline or (2S)-2-(3-carboxypropanoylamino)-5-oxopentanoate, belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N2-Succinyl-L-glutamic acid 5-semialdehyde exists in all living organisms, ranging from bacteria to humans. N2-Succinyl-L-glutamic acid 5-semialdehyde 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-glutamic acid 5-semialdehyde a potential biomarker for the consumption of these foods. N2-Succinyl-L-glutamic acid 5-semialdehyde 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-glutamic acid 5-semialdehyde.
Structure
Data?1582752182
Synonyms
ValueSource
(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acidChEBI
N-(3-Carboxypropanoyl)-5-oxo-L-norvalineChEBI
N-Succinyl-L-glutamate 5-semialdehydeChEBI
(2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoateGenerator
N-Succinyl-L-glutamic acid 5-semialdehydeGenerator
N2-Succinyl-L-glutamate 5-semialdehydeGenerator
Chemical FormulaC9H13NO6
Average Molecular Weight231.2026
Monoisotopic Molecular Weight231.074287153
IUPAC Name(2S)-2-(3-carboxypropanamido)-5-oxopentanoic acid
Traditional Name(2S)-2-(3-carboxypropanamido)-5-oxopentanoic acid
CAS Registry NumberNot Available
SMILES
OC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O
InChI Identifier
InChI=1S/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChI KeyXTOKIEIBKARFSZ-LURJTMIESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-L-alpha-amino acids
Alternative Parents
Substituents
  • N-acyl-l-alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Alpha-hydrogen aldehyde
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Aldehyde
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Source

Route of exposure

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 Solubility5.57 g/LALOGPS
logP10(-0.81) g/LALOGPS
logP10(-1.4) g/LChemAxon
logS10(-1.6) g/LALOGPS
pKa (Strongest Acidic)3.38ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area120.77 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity50.7 m³·mol⁻¹ChemAxon
Polarizability21.38 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]+153.51431661259
DarkChem[M-H]-150.80131661259
AllCCS[M+H]+150.35632859911
AllCCS[M-H]-149.27132859911
DeepCCS[M+H]+148.09530932474
DeepCCS[M-H]-145.73730932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N2-Succinyl-L-glutamic acid 5-semialdehydeOC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O3385.0Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehydeOC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O1674.1Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehydeOC(=O)CCC(=O)N[C@@H](CCC=O)C(O)=O2098.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=O)C(=O)O2047.5Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCC=O)NC(=O)CCC(=O)O2019.8Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TMS,isomer #3C[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O)C(=O)O2193.4Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TMS,isomer #4C[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCC=O)C(=O)O2008.7Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TMS,isomer #1C[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=O)C(=O)O[Si](C)(C)C2074.2Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TMS,isomer #2C[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O2240.1Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TMS,isomer #3C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O)[Si](C)(C)C2030.4Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TMS,isomer #4C[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C2200.9Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CCC=O)N(C(=O)CCC(=O)O)[Si](C)(C)C2039.9Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TMS,isomer #6C[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C2188.9Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #1C[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2227.2Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #1C[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2167.8Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #1C[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2651.7Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2060.9Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2096.5Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #2C[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2366.1Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #3C[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2174.5Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #3C[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2256.2Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #3C[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2735.4Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #4C[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2181.9Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #4C[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2202.4Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TMS,isomer #4C[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C2708.8Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,4TMS,isomer #1C[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2194.7Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,4TMS,isomer #1C[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2225.9Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,4TMS,isomer #1C[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2412.2Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=O)C(=O)O2294.2Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC=O)NC(=O)CCC(=O)O2250.7Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O)C(=O)O2443.5Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CCC(=O)O)[C@@H](CCC=O)C(=O)O2244.9Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N[C@@H](CCC=O)C(=O)O[Si](C)(C)C(C)(C)C2513.7Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2679.3Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O)[Si](C)(C)C(C)(C)C2506.7Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2615.4Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC=O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2513.2Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2650.2Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2815.2Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2780.3Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=CC[C@H](NC(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2862.8Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2748.3Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2680.2Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CCC(=O)N([C@@H](CCC=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2704.2Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2849.2Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2806.4Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=CC[C@@H](C(=O)O)N(C(=O)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2922.5Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2821.3Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2758.2Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C2907.6Standard polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=CC[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)C3005.9Semi standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=CC[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)C2949.4Standard non polar33892256
N2-Succinyl-L-glutamic acid 5-semialdehyde,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=CC[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)C2773.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde GC-MS (Non-derivatized) - 70eV, Positivesplash10-06rf-8920000000-de0373c383031c38b98d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde GC-MS (2 TMS) - 70eV, Positivesplash10-0fk9-9616000000-e905acfb4421fd9a292d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 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-glutamic acid 5-semialdehyde 10V, Positive-QTOFsplash10-03di-1980000000-74015f7ab3858792898c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 20V, Positive-QTOFsplash10-01q0-5910000000-c37e86034167b574deb22015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 40V, Positive-QTOFsplash10-0a6u-9300000000-4a69a3cdc96a6c8c5c402015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 10V, Negative-QTOFsplash10-001i-1590000000-5a28fbbff5308518ce1c2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 20V, Negative-QTOFsplash10-02ai-3930000000-12821be6f464ccdfdba02015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 40V, Negative-QTOFsplash10-0006-9300000000-2070a656d13619fb76632015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 10V, Negative-QTOFsplash10-001i-0940000000-35df590442ab1a397fe52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 20V, Negative-QTOFsplash10-001i-1900000000-83f2a9a6139a500e10032021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 40V, Negative-QTOFsplash10-0006-9200000000-17d7da9cc45b62f99d3b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 10V, Positive-QTOFsplash10-01q9-1960000000-85670ee0fecf4ac3dac52021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 20V, Positive-QTOFsplash10-03e9-6900000000-0512be8e49ae1f997efb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N2-Succinyl-L-glutamic acid 5-semialdehyde 40V, Positive-QTOFsplash10-0bu9-9200000000-be239b2adadd42989b152021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022470
KNApSAcK IDNot Available
Chemspider ID389690
KEGG Compound IDC05932
BioCyc IDCPD-822
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6061
PubChem Compound440848
PDB IDNot Available
ChEBI ID27657
Food Biomarker OntologyNot Available
VMH IDSUCGSA
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available