Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110129
Identification
Name: N2-succinyl-L-glutamate 5-semialdehyde
Description:Not Available
Structure
Thumb
Synonyms:
  • N2-succinylglutamic-semialdehyde
  • N2-succinylglutamate semialdehyde
  • N2-succinylglutamic semialdehyde
Chemical Formula: C9H11NO6
Average Molecular Weight: 231.0742871551
Monoisotopic Molecular Weight: 231.0742871551
InChI Key: XTOKIEIBKARFSZ-LURJTMIESA-L
InChI: 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)/p-2/t6-/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(CCC(NC(CCC(=O)[O-])=O)C(=O)[O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent N-acyl-alpha amino acids
Alternative Parents
Substituents
  • N-acyl-alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Alpha-hydrogen aldehyde
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Aldehyde
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organooxygen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (CPD-822)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass229.1864ChemAxon
logP-2.8788ChemAxon
H-bond acceptors7ChemAxon
H-bond donors1ChemAxon
Rotatable bonds9ChemAxon
PSA126.4300ChemAxon
RO5 violations0ChemAxon
RO3 violations3ChemAxon
Refractivity48.2377ChemAxon
Atoms27ChemAxon
Rings0ChemAxon
Heavy atoms16ChemAxon
Hydrogen atoms11ChemAxon
Heteroatoms7ChemAxon
N/O atoms7ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers1ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers1ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • L-arginine degradation II (AST pathway)AST-PWY
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycCPD-822