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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:24:52 UTC
Update Date2022-03-07 03:17:46 UTC
HMDB IDHMDB0060494
Secondary Accession Numbers
  • HMDB60494
Metabolite Identification
Common NameN-Acetylmuramoyl-Ala
DescriptionN-Acetylmuramoyl-Ala 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. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group. N-Acetylmuramoyl-Ala is a moderately basic compound (based on its pKa). N-Acetylmuramoyl-Ala exists in all living organisms, ranging from bacteria to humans.
Structure
Data?1563866067
Synonyms
ValueSource
N-Acetyl-D-muramoyl-L-alanineKegg
Chemical FormulaC14H24N2O9
Average Molecular Weight364.3484
Monoisotopic Molecular Weight364.148180376
IUPAC Name(2R)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-1-hydroxypropylidene]amino}propanoic acid
Traditional NameN-acetylmuramoyl-ala
CAS Registry NumberNot Available
SMILES
[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])N=C(C)O)C(O)=N[C@]([H])(C)C(O)=O
InChI Identifier
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)/t5-,6-,8-,9-,10-,11-,14+/m1/s1
InChI KeyICMUIFDBEVJCQA-GQQBCVOHSA-N
Chemical Taxonomy
Description 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.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentAcylaminosugars
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
  • Alcohol
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organic nitrogen compound
  • Primary alcohol
  • Organonitrogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.6 g/LALOGPS
logP-1.3ALOGPS
logP-1.4ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)3.45ChemAxon
pKa (Strongest Basic)1.46ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area181.63 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity80.7 m³·mol⁻¹ChemAxon
Polarizability34.93 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+180.7731661259
DarkChem[M-H]-176.85831661259
DeepCCS[M+H]+182.41530932474
DeepCCS[M-H]-180.65830932474
DeepCCS[M-2H]-214.69230932474
DeepCCS[M+Na]+188.55530932474
AllCCS[M+H]+181.432859911
AllCCS[M+H-H2O]+178.832859911
AllCCS[M+NH4]+183.732859911
AllCCS[M+Na]+184.432859911
AllCCS[M-H]-183.732859911
AllCCS[M+Na-2H]-183.932859911
AllCCS[M+HCOO]-184.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-Acetylmuramoyl-Ala[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])N=C(C)O)C(O)=N[C@]([H])(C)C(O)=O3774.9Standard polar33892256
N-Acetylmuramoyl-Ala[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])N=C(C)O)C(O)=N[C@]([H])(C)C(O)=O2719.2Standard non polar33892256
N-Acetylmuramoyl-Ala[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(O)[C@]1([H])N=C(C)O)C(O)=N[C@]([H])(C)C(O)=O2748.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-Acetylmuramoyl-Ala,1TMS,isomer #1CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2626.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TMS,isomer #2CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2646.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TMS,isomer #3CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2628.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TMS,isomer #4CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2658.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TMS,isomer #5CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2601.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TMS,isomer #6CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2573.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #1CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2608.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #10CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2604.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #11CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2584.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #12CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2563.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #13CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2600.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #14CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2576.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #15CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2540.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #2CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2597.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #3CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2638.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #4CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2573.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #5CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2543.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #6CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2631.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #7CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2627.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #8CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2590.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TMS,isomer #9CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2576.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #1CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2574.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #10CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2548.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #11CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2598.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #12CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2594.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #13CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2582.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #14CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2592.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #15CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2579.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #16CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2563.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #17CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2572.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #18CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2571.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #19CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2565.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #2CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2629.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #20CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2560.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #3CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2579.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #4CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2565.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #5CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2607.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #6CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2569.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #7CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2553.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #8CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2600.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TMS,isomer #9CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2587.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #1CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C2598.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #10CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2581.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #11CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2564.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #12CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2544.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #13CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2556.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #14CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2574.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #15CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2543.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #2CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2550.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #3CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2537.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #4CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2585.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #5CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2566.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #6CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2537.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #7CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C2599.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #8CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C2587.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TMS,isomer #9CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2555.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,5TMS,isomer #1CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C2590.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,5TMS,isomer #2CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2581.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,5TMS,isomer #3CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2547.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,5TMS,isomer #4CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2574.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,5TMS,isomer #5CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2606.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,5TMS,isomer #6CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2555.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,6TMS,isomer #1CC(=N[C@H]1[C@@H](O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2611.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TBDMS,isomer #1CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2798.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TBDMS,isomer #2CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2833.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TBDMS,isomer #3CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2805.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TBDMS,isomer #4CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C2858.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TBDMS,isomer #5CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C2786.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,1TBDMS,isomer #6CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C2786.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #1CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3012.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #10CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3010.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #11CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C2984.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #12CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C2971.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #13CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3024.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #14CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3004.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #15CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2959.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #2CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2976.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #3CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O3009.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #4CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C2977.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #5CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C2958.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #6CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3035.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #7CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O2997.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #8CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C2981.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,2TBDMS,isomer #9CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C2981.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #1CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3192.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #10CC(O)=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3153.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #11CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3199.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #12CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3202.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #13CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3207.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #14CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3173.1Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #15CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C3179.3Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #16CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3168.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #17CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3181.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #18CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3180.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #19CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3162.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #2CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3236.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #20CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3199.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #3CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3189.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #4CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3188.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #5CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O3198.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #6CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3164.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #7CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C3164.9Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #8CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3185.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,3TBDMS,isomer #9CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C3191.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #1CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3377.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #10CC(O)=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3352.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #11CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3336.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #12CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3360.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #13CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3364.5Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #14CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3337.8Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #15CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3337.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #2CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3317.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #3CC(=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3339.0Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #4CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3354.7Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #5CC(=N[C@H]1[C@@H](O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3379.2Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #6CC(=N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3328.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #7CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O)O[Si](C)(C)C(C)(C)C3353.4Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #8CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(O)=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C3371.6Semi standard non polar33892256
N-Acetylmuramoyl-Ala,4TBDMS,isomer #9CC(O)=N[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H](C)C(=N[C@H](C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3315.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylmuramoyl-Ala GC-MS (Non-derivatized) - 70eV, Positivesplash10-02hi-7694000000-e0bf5fe9b2d2e048bb402017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylmuramoyl-Ala GC-MS (4 TMS) - 70eV, Positivesplash10-000i-4311329000-0c1ade6ce259b701107a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylmuramoyl-Ala GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-Acetylmuramoyl-Ala GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 10V, Positive-QTOFsplash10-00kr-9017000000-49af146042561dd04d612015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 20V, Positive-QTOFsplash10-000f-9134000000-7c4b46985351f5e9e6dc2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 40V, Positive-QTOFsplash10-000f-9010000000-5935588444947cb43c2a2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 10V, Negative-QTOFsplash10-029j-6259000000-6ddc444f06283771e5c02015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 20V, Negative-QTOFsplash10-0r71-9356000000-c39ea16c30cb37b259252015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 40V, Negative-QTOFsplash10-0pbi-9400000000-03d5770d0afc2689d6e42015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 10V, Positive-QTOFsplash10-00kb-0059000000-d9ae8951c5f88ada4a962021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 20V, Positive-QTOFsplash10-0udj-2191000000-d2139808551a4a8e51f72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 40V, Positive-QTOFsplash10-0006-9220000000-ebbb1f935552487c02cd2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 10V, Negative-QTOFsplash10-0ita-1369000000-e1eba374c3c7cc93f2502021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 20V, Negative-QTOFsplash10-0il1-5592000000-c09ca504da13e57364b32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-Acetylmuramoyl-Ala 40V, Negative-QTOFsplash10-0006-9440000000-56c6db47c0e309352b382021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4575343
KEGG Compound IDC02999
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5462248
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDACMAMA
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

General function:
Involved in N-acetylmuramoyl-L-alanine amidase activity
Specific function:
Pattern receptor that binds to murein peptidoglycans (PGN) of Gram-positive bacteria. Has bactericidal activity towards Gram-positive bacteria. May kill Gram-positive bacteria by interfering with peptidoglycan biosynthesis. Binds also to Gram-negative bacteria, and has bacteriostatic activity towards Gram-negative bacteria. Plays a role in innate immunity.
Gene Name:
PGLYRP1
Uniprot ID:
O75594
Molecular weight:
Not Available
Reactions
N-Acetylmuramoyl-Ala + Water → N-Acetylmuramate + L-Alaninedetails
General function:
Involved in N-acetylmuramoyl-L-alanine amidase activity
Specific function:
Pattern receptor that binds to murein peptidoglycans (PGN) of Gram-positive bacteria. Has bactericidal activity towards Gram-positive bacteria. May kill Gram-positive bacteria by interfering with peptidoglycan biosynthesis. Binds also to Gram-negative bacteria, and has bacteriostatic activity towards Gram-negative bacteria. Plays a role in innate immunity.
Gene Name:
PGLYRP3
Uniprot ID:
Q96LB9
Molecular weight:
Not Available
Reactions
N-Acetylmuramoyl-Ala + Water → N-Acetylmuramate + L-Alaninedetails
General function:
Not Available
Specific function:
Pattern receptor that binds to murein peptidoglycans (PGN) of Gram-positive bacteria. Has bactericidal activity towards Gram-positive bacteria. May kill Gram-positive bacteria by interfering with peptidoglycan biosynthesis. Binds also to Gram-negative bacteria, and has bacteriostatic activity towards Gram-negative bacteria. Plays a role in innate immunity.
Gene Name:
PGLYRP4
Uniprot ID:
Q96LB8
Molecular weight:
Not Available
Reactions
N-Acetylmuramoyl-Ala + Water → N-Acetylmuramate + L-Alaninedetails
General function:
Not Available
Specific function:
May play a scavenger role by digesting biologically active peptidoglycan (PGN) into biologically inactive fragments. Has no direct bacteriolytic activity.
Gene Name:
PGLYRP2
Uniprot ID:
Q96PD5
Molecular weight:
Not Available
Reactions
N-Acetylmuramoyl-Ala + Water → N-Acetylmuramate + L-Alaninedetails