UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimeloyl-D-alanine (PAMDB120250)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120250
Identification
Name: UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimeloyl-D-alanine
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminoheptanedioate-D-alanine
  • UDP-MurNAc-tetrapeptideuridine 5'-pyrophosphoryl N-acetylmuramyl-tetrapeptide
Chemical Formula: C38H56N8O27P2
Average Molecular Weight: 1118.845
Monoisotopic Molecular Weight: 1123.3121
InChI Key: GTTWNLXGSDZECO-HOZNVNQUSA-J
InChI:InChI=1S/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)41-15(2)34(57)58)40-31(55)16(3)69-29-25(42-17(4)48)37(71-21(12-47)27(29)52)72-75(66,67)73-74(64,65)68-13-22-26(51)28(53)33(70-22)46-11-10-24(50)45-38(46)63/h10-11,14-16,18-22,25-29,33,37,47,51-53H,5-9,12-13,39H2,1-4H3,(H,40,55)(H,41,56)(H,42,48)(H,43,49)(H,44,54)(H,57,58)(H,59,60)(H,61,62)(H,64,65)(H,66,67)(H,45,50,63)/p-4/t14-,15+,16+,18+,19-,20+,21+,22+,25+,26+,27+,28+,29+,33+,37+/m0/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CC(NC(=O)C(C)OC3(C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(NC(C)=O)3))C(=O)NC(CCC(=O)NC(CCCC([N+])C(=O)[O-])C(=O)NC(C)C(=O)[O-])C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent Oligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Pyrimidine nucleotide sugar
  • Pyrimidine ribonucleoside diphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glutamine or derivatives
  • N-acyl-alpha-hexosamine
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Glycosyl compound
  • N-glycosyl compound
  • Alanine or derivatives
  • Alpha-amino acid or derivatives
  • Monosaccharide phosphate
  • N-substituted-alpha-amino acid
  • Organic pyrophosphate
  • Tricarboxylic acid or derivatives
  • Pyrimidone
  • Fatty acyl
  • Fatty amide
  • Hydropyrimidine
  • Monosaccharide
  • N-acyl-amine
  • Organic phosphoric acid derivative
  • Alkyl phosphate
  • Oxane
  • Phosphoric acid ester
  • Pyrimidine
  • Tetrahydrofuran
  • Vinylogous amide
  • Heteroaromatic compound
  • Acetamide
  • Carboxylic acid salt
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxamide group
  • Urea
  • Lactam
  • Dialkyl ether
  • Azacycle
  • Oxacycle
  • Carboxylic acid
  • Organoheterocyclic compound
  • Ether
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxygen compound
  • Alcohol
  • Organic nitrogen compound
  • Organic salt
  • Primary alcohol
  • Organopnictogen compound
  • Organic oxide
  • Carbonyl group
  • Organonitrogen compound
  • Organic anion
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-4
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight1118.843 g/molPubChem
XLogP3-AA-8.7 PubChem
Hydrogen Bond Donor Count11 PubChem
Hydrogen Bond Acceptor Count27 PubChem
Rotatable Bond Count26 PubChem
Exact Mass1118.273 g/molPubChem
Monoisotopic Mass1118.273 g/molPubChem
Topological Polar Surface Area560 A^2PubChem
Heavy Atom Count75 PubChem
Formal Charge-4 PubChem
Complexity2230 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count15 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:
UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimeloyl-D-alanine + Water → D-Alanine + UDP-N-Acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate
UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine + Water → UDP-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimeloyl-D-alanine + D-Alanine
Pathways:
    Spectra
    Spectra: Not Available
    References
    References:
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    BIGG2328764
    CHEBI64420
    PUBCHEM25200511