N-acetyl-β-muramate 6-phosphate (PAMDB120454)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120454
Identification
Name: N-acetyl-β-muramate 6-phosphate
Description:An organophosphate oxoanion that is a trianion arising from deprotonation of phosphate and carboxylic acid functions of N-acetyl-β-muramic acid 6-phosphate.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-6-O-phosphonato-β-D-glucopyranose
  • N-acetyl-β-muramate 6-phosphate
Chemical Formula: C11H17NO11P
Average Molecular Weight: 370.229
Monoisotopic Molecular Weight: 373.0774
InChI Key: NMEMTQKUEVNSPV-YVNCZSHWSA-K
InChI:InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/p-3/t4-,6-,7-,8-,9-,11-/m1/s1
CAS number: Not Available
IUPAC Name:2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-β-D-glucopyranose 6-phosphate
Traditional IUPAC Name: Not Available
SMILES:CC(OC1(C(C(OC(C1O)COP([O-])([O-])=O)O)NC(=O)C))C([O-])=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
  • Muramic_acid
  • Hexose phosphate
  • N-acyl-alpha-hexosamine
  • Hexose monosaccharide
  • Monosaccharide phosphate
  • Sugar acid
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Oxane
  • Phosphoric acid ester
  • Alkyl phosphate
  • Acetamide
  • Secondary alcohol
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Hemiacetal
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkyl ether
  • Ether
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Organonitrogen compound
  • Alcohol
  • Organopnictogen compound
  • Organic oxide
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic anion
  • Aliphatic heteromonocyclic compound
Molecular Framework Aliphatic heteromonocyclic compounds
External Descriptors
  • a small molecule (CPD0-881)
Physical Properties
State: Not Available
Charge:-3
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight370.227 g/molPubChem
XLogP3-AA-3.2 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count11 PubChem
Rotatable Bond Count5 PubChem
Exact Mass370.054 g/molPubChem
Monoisotopic Mass370.054 g/molPubChem
Topological Polar Surface Area201 A^2PubChem
Heavy Atom Count24 PubChem
Formal Charge-3 PubChem
Complexity491 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count6 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:
1,6-anhydro-N-acetyl-β-muramate + ATP + Water → Hydrogen ion + N-acetyl-β-muramate 6-phosphate + ADP
N-acetyl-β-muramate 6-phosphate + Water → N-ACETYL-D-GLUCOSAMINE-6-P + (R)-lactate
Pathways:
Spectra
Spectra: Not Available
References
References:
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
BIGG1771501
CHEBI58721
PUBCHEM45266739
LIGAND-CPDC16698