N-acetylmuramoyl-L-alaninate (PAMDB120301)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120301
Identification
Name: N-acetylmuramoyl-L-alaninate
Description:The carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-α-D-muramoyl-L-alanine; principal microspecies at pH 7.3.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • N-acetyl-D-muramoyl-L-alanine(1-)
Chemical Formula: C14H23N2O9
Average Molecular Weight: 363.344
Monoisotopic Molecular Weight: 364.1482
InChI Key: ICMUIFDBEVJCQA-GFBFODDVSA-M
InChI:InChI=1S/C14H24N2O9/c1-5(13(21)22)15-12(20)6(2)24-11-9(16-7(3)18)14(23)25-8(4-17)10(11)19/h5-6,8-11,14,17,19,23H,4H2,1-3H3,(H,15,20)(H,16,18)(H,21,22)/p-1/t5-,6+,8+,9+,10+,11+,14-/m0/s1
CAS number: Not Available
IUPAC Name:2-acetamido-3-O-[(2R)-1-{[(1S)-1-carboxylatoethyl]amino}-1-oxopropan-2-yl]-2-deoxy-α-D-glucopyranose
Traditional IUPAC Name: Not Available
SMILES:CC(C(=O)[O-])NC(C(OC1(C(NC(=O)C)C(O)OC(CO)C(O)1))C)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Acylaminosugars
Alternative Parents
Substituents
  • Acylaminosugar
  • N-acyl-alpha-hexosamine
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Hexose monosaccharide
  • Alanine or derivatives
  • Alpha-amino acid or derivatives
  • Monosaccharide
  • Oxane
  • Acetamide
  • Carboxamide group
  • Hemiacetal
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Organopnictogen compound
  • Alcohol
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organic nitrogen compound
  • Primary alcohol
  • Organonitrogen compound
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer53262353 PubChem
Molecular Weight363.343 g/molPubChem
XLogP3-AA-1.7 PubChem
Hydrogen Bond Donor Count5 PubChem
Hydrogen Bond Acceptor Count9 PubChem
Rotatable Bond Count6 PubChem
Exact Mass363.14 g/molPubChem
Monoisotopic Mass363.14 g/molPubChem
Topological Polar Surface Area178 A^2PubChem
Heavy Atom Count25 PubChem
Formal Charge-1 PubChem
Complexity495 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count7 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
N-acetylmuramoyl-L-alaninate + Water → N-acetylmuramate + L-Alanine
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    CHEBI62542
    PUBCHEM53262353