L-alanyl-γ-D-glutamyl-meso-diaminopimelate (PAMDB120190)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120190
Identification
Name: L-alanyl-γ-D-glutamyl-meso-diaminopimelate
Description:A peptide anion that is the conjugate base of L-alanyl-γ-D-glutamyl-meso-diaminopimelic acid, 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-meso-Dap(1−)
  • L-alanyl-D-glutamyl-diaminopimelate anion
  • L-alanyl-γ-D-glutamyl-diaminopimelate
  • L-alanyl-γ-D-glutamyl-meso-diaminopimelate
  • L-alanyl-γ-D-glutamyl-meso-diaminopimelate
  • L-alanyl-γ-D-glutamyl-meso-diaminopimelate anion
Chemical Formula: C15H25N4O8
Average Molecular Weight: 389.384
Monoisotopic Molecular Weight: 392.1907
InChI Key: FMNCPUGORYYCEM-JLIMGVALSA-M
InChI:InChI=1S/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)/p-1/t7-,8+,9+,10-/m0/s1
CAS number: Not Available
IUPAC Name:(2S,6R)-2-azaniumyl-6-{[(4R)-4-{[(2S)-2-azaniumylpropanoyl]amino}-4-carboxylatobutanoyl]amino}heptanedioate
Traditional IUPAC Name: Not Available
SMILES:CC([N+])C(=O)NC(CCC(=O)NC(C([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
Molecular Weight389.385 g/molPubChem
XLogP3-AA-5 PubChem
Hydrogen Bond Donor Count4 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count10 PubChem
Exact Mass389.167 g/molPubChem
Monoisotopic Mass389.167 g/molPubChem
Topological Polar Surface Area234 A^2PubChem
Heavy Atom Count27 PubChem
Formal Charge-1 PubChem
Complexity552 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count2 PubChem
Undefined Atom Stereocenter Count2 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
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
UDP-N-acetyl-α-D-muramate + L-alanyl-γ-D-glutamyl-meso-diaminopimelate + ATP → Hydrogen ion + UDP-N-Acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate + ADP + phosphate
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
BIGG2327200
PUBCHEM52940222
CHEBI61401