L-Ala-γ-D-Glu-meso-DAP-D-Ala (PAMDB120146)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120146
Identification
Name: L-Ala-γ-D-Glu-meso-DAP-D-Ala
Description:A peptide anion that is the conjugate base of L-Ala-γ-D-Glu-meso-Dap-D-Ala, arising from deprotonation of the the three carboxy groups and protonation of both amino groups; major species at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • L-Ala-γ-D-Glu-Dap-D-Ala anion
  • L-Ala-γ-D-Glu-Dap-D-Ala(1−)
  • L-Ala-γ-D-Glu-meso-Dap-D-Ala anion
  • L-alanyl-γ-D-glutamyl-meso-diaminopimelate-D-alanine
Chemical Formula: C18H30N5O9
Average Molecular Weight: 460.463
Monoisotopic Molecular Weight: 463.2278
InChI Key: VFGFFQOPKZHQLZ-KQSJRHEJSA-M
InChI:InChI=1S/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/p-1/t8-,9+,10+,11+,12-/m0/s1
CAS number: Not Available
IUPAC Name:(2S,6R)-2-azaniumyl-6-{[(4R)-4-{[(2S)-2-azaniumylpropanoyl]amino}-4-carboxylatobutanoyl]amino}-7-{[(1R)-1-carboxylatoethyl]amino}-7-oxoheptanoate
Traditional IUPAC Name: Not Available
SMILES:CC([N+])C(=O)NC(CCC(=O)NC(C(NC(C)C([O-])=O)=O)CCCC([N+])C(=O)[O-])C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionNot Available
Kingdom Not Available
Super ClassNot Available
Class Not Available
Sub ClassNot Available
Direct Parent Not Available
Alternative Parents Not Available
Substituents Not Available
Molecular Framework Not Available
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass460.4589ChemAxon
logP1.1335ChemAxon
H-bond acceptors14ChemAxon
H-bond donors7ChemAxon
Rotatable bonds15ChemAxon
PSA264.5400ChemAxon
RO5 violations2ChemAxon
RO3 violations5ChemAxon
Refractivity113.1983ChemAxon
Atoms62ChemAxon
Rings0ChemAxon
Heavy atoms32ChemAxon
Hydrogen atoms30ChemAxon
Heteroatoms14ChemAxon
N/O atoms14ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers5ChemAxon
R/S chiral centers5ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds3ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds3ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
L-Ala-γ-D-Glu-meso-DAP-D-Ala + Water → L-alanyl-γ-D-glutamyl-meso-diaminopimelate + D-Alanine
GlcNAc-1,6-anhMurNAc-L-Ala-γ-D-Glu-DAP-D-Ala + Water → N-acetyl-β-D-glucosamine(anhydrous)-N-acetylmuramate + L-Ala-γ-D-Glu-meso-DAP-D-Ala
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI61983