UDP-N-acetyl-α-D-muramoyl-L-alanine (PAMDB110844)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110844
Identification
Name: UDP-N-acetyl-α-D-muramoyl-L-alanine
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • UDP-N-acetyl-α-D-muramyl-L-Ala
Chemical Formula: C23H33N4O20P2
Average Molecular Weight: 747.48
Monoisotopic Molecular Weight: 750.1398126384
InChI Key: NTMMCWJNQNKACG-KBKUWGQMSA-K
InChI: InChI=1S/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)46-49(40,41)47-48(38,39)42-7-12-15(31)17(33)20(44-12)27-5-4-13(30)26-23(27)37/h4-5,8-9,11-12,14-18,20,22,28,31-33H,6-7H2,1-3H3,(H,24,34)(H,25,29)(H,35,36)(H,38,39)(H,40,41)(H,26,30,37)/p-3/t8-,9+,11+,12+,14+,15+,16+,17+,18+,20+,22+/m0/s1
CAS number: Not Available
IUPAC Name:uridine 5'-(3-{2-acetylamino-3-O-[2-(L-alaninocarboxy)ethyl]-2-deoxy-D-glucopyranosyl}dihydrogen diphosphate)
Traditional IUPAC Name: Not Available
SMILES:CC(NC(=O)C(C)OC1(C(C(OC(C(O)1)CO)OP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))NC(C)=O))C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.
Kingdom Organic compounds
Super ClassNucleosides, nucleotides, and analogues
Class Pyrimidine nucleotides
Sub ClassPyrimidine nucleotide sugars
Direct Parent Pyrimidine nucleotide sugars
Alternative Parents
Substituents
  • Pyrimidine nucleotide sugar
  • Pyrimidine ribonucleoside diphosphate
  • Pentose-5-phosphate
  • Pentose phosphate
  • N-acyl-alpha-hexosamine
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Glycosyl compound
  • N-glycosyl compound
  • Alanine or derivatives
  • Alpha-amino acid or derivatives
  • Monosaccharide phosphate
  • Organic pyrophosphate
  • Pyrimidone
  • Organic phosphoric acid derivative
  • Oxane
  • Hydropyrimidine
  • Pyrimidine
  • Monosaccharide
  • Phosphoric acid ester
  • Alkyl phosphate
  • Tetrahydrofuran
  • Vinylogous amide
  • Acetamide
  • Heteroaromatic compound
  • Carboxamide group
  • Lactam
  • Urea
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkyl ether
  • Ether
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Organooxygen compound
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • a UDP-sugar (CPD0-1456)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight747.473 g/molPubChem
XLogP3-AA-5.9 PubChem
Hydrogen Bond Donor Count7 PubChem
Hydrogen Bond Acceptor Count20 PubChem
Rotatable Bond Count14 PubChem
Exact Mass747.116 g/molPubChem
Monoisotopic Mass747.116 g/molPubChem
Topological Polar Surface Area364 A^2PubChem
Heavy Atom Count49 PubChem
Formal Charge-3 PubChem
Complexity1380 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count11 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:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI9830
IAF126037088
KEGGC01212
PubChem25245974