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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 15:12:45 UTC
Update Date2022-03-07 02:49:18 UTC
HMDB IDHMDB0003254
Secondary Accession Numbers
  • HMDB03254
Metabolite Identification
Common NameMuramic acid
DescriptionMuramic acid is an amino sugar acid. In terms of chemical composition, it is the ether of lactic acid and glucosamine. It occurs naturally as N-acetylmuramic acid in peptidoglycan, whose primary function is a structural component of many typical bacterial cell walls. Muramic acid, also known as muramate or murexide, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Muramic acid is an amino sugar acid. It occurs naturally as N-acetylmuramic acid in peptidoglycan, whose primary function is a structural component of many typical bacterial cell walls. In terms of chemical composition, it is the ether of lactic acid and glucosamine.
Structure
Data?1582752268
Synonyms
ValueSource
MuramateGenerator
(+)-MuramateHMDB
(+)-Muramic acidHMDB
3-O-alpha-Carboxyethyl-D-glucosamineHMDB
3-O-alpha-Carboxyethyl-delta-glucosamineHMDB
Muramic acid hydrateHMDB
MurexideHMDB
(2R)-2-{[(2R,3R,4S,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoateGenerator, HMDB
Chemical FormulaC9H17NO7
Average Molecular Weight251.2338
Monoisotopic Molecular Weight251.100501903
IUPAC Name(2R)-2-{[(2R,3R,4S,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid
Traditional Name(2R)-2-{[(2R,3R,4S,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid
CAS Registry Number1114-41-6
SMILES
C[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O
InChI Identifier
InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7+,9-/m1/s1
InChI KeyMSFSPUZXLOGKHJ-LEISLEKSSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar acids and derivatives
Alternative Parents
Substituents
  • Muramic_acid
  • Hexose monosaccharide
  • Amino saccharide
  • Sugar acid
  • Monosaccharide
  • Oxane
  • Amino acid or derivatives
  • Hemiacetal
  • Amino acid
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Dialkyl ether
  • Ether
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Organoheterocyclic compound
  • Primary aliphatic amine
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Amine
  • Carbonyl group
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Alcohol
  • Primary alcohol
  • Primary amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point153 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility152 g/LALOGPS
logP-3.1ALOGPS
logP-4.6ChemAxon
logS-0.22ALOGPS
pKa (Strongest Acidic)3.33ChemAxon
pKa (Strongest Basic)8.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area142.47 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity52.91 m³·mol⁻¹ChemAxon
Polarizability23.42 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+156.50131661259
DarkChem[M-H]-153.46331661259
DeepCCS[M+H]+160.24930932474
DeepCCS[M-H]-157.86330932474
DeepCCS[M-2H]-191.91430932474
DeepCCS[M+Na]+166.91930932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Muramic acidC[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O3530.5Standard polar33892256
Muramic acidC[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O2340.6Standard non polar33892256
Muramic acidC[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O2047.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Muramic acid,1TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O2123.8Semi standard non polar33892256
Muramic acid,1TMS,isomer #2C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O2127.0Semi standard non polar33892256
Muramic acid,1TMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N)C(=O)O2113.5Semi standard non polar33892256
Muramic acid,1TMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C2092.1Semi standard non polar33892256
Muramic acid,1TMS,isomer #5C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O2120.5Semi standard non polar33892256
Muramic acid,2TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O2111.2Semi standard non polar33892256
Muramic acid,2TMS,isomer #10C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2110.3Semi standard non polar33892256
Muramic acid,2TMS,isomer #11C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2221.6Semi standard non polar33892256
Muramic acid,2TMS,isomer #2C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O2106.4Semi standard non polar33892256
Muramic acid,2TMS,isomer #3C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C2080.6Semi standard non polar33892256
Muramic acid,2TMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O2145.1Semi standard non polar33892256
Muramic acid,2TMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O2100.9Semi standard non polar33892256
Muramic acid,2TMS,isomer #6C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C2077.5Semi standard non polar33892256
Muramic acid,2TMS,isomer #7C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O2132.5Semi standard non polar33892256
Muramic acid,2TMS,isomer #8C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C2047.2Semi standard non polar33892256
Muramic acid,2TMS,isomer #9C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O2124.6Semi standard non polar33892256
Muramic acid,3TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O2101.8Semi standard non polar33892256
Muramic acid,3TMS,isomer #10C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2146.8Semi standard non polar33892256
Muramic acid,3TMS,isomer #11C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2233.0Semi standard non polar33892256
Muramic acid,3TMS,isomer #12C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2138.8Semi standard non polar33892256
Muramic acid,3TMS,isomer #13C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2221.5Semi standard non polar33892256
Muramic acid,3TMS,isomer #14C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2216.0Semi standard non polar33892256
Muramic acid,3TMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C2101.6Semi standard non polar33892256
Muramic acid,3TMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O2158.9Semi standard non polar33892256
Muramic acid,3TMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C2104.1Semi standard non polar33892256
Muramic acid,3TMS,isomer #5C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O2163.6Semi standard non polar33892256
Muramic acid,3TMS,isomer #6C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2160.2Semi standard non polar33892256
Muramic acid,3TMS,isomer #7C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2218.7Semi standard non polar33892256
Muramic acid,3TMS,isomer #8C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C2071.6Semi standard non polar33892256
Muramic acid,3TMS,isomer #9C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O2168.9Semi standard non polar33892256
Muramic acid,4TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C2096.0Semi standard non polar33892256
Muramic acid,4TMS,isomer #10C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2256.3Semi standard non polar33892256
Muramic acid,4TMS,isomer #11C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2224.7Semi standard non polar33892256
Muramic acid,4TMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O2158.9Semi standard non polar33892256
Muramic acid,4TMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2153.0Semi standard non polar33892256
Muramic acid,4TMS,isomer #4C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2245.6Semi standard non polar33892256
Muramic acid,4TMS,isomer #5C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2171.1Semi standard non polar33892256
Muramic acid,4TMS,isomer #6C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2243.4Semi standard non polar33892256
Muramic acid,4TMS,isomer #7C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2248.8Semi standard non polar33892256
Muramic acid,4TMS,isomer #8C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2156.8Semi standard non polar33892256
Muramic acid,4TMS,isomer #9C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2249.3Semi standard non polar33892256
Muramic acid,5TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2153.8Semi standard non polar33892256
Muramic acid,5TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2305.4Standard non polar33892256
Muramic acid,5TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N[Si](C)(C)C)C(=O)O[Si](C)(C)C2421.6Standard polar33892256
Muramic acid,5TMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2285.5Semi standard non polar33892256
Muramic acid,5TMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2307.2Standard non polar33892256
Muramic acid,5TMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2524.9Standard polar33892256
Muramic acid,5TMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2280.4Semi standard non polar33892256
Muramic acid,5TMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2338.7Standard non polar33892256
Muramic acid,5TMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2408.9Standard polar33892256
Muramic acid,5TMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2282.7Semi standard non polar33892256
Muramic acid,5TMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2359.2Standard non polar33892256
Muramic acid,5TMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2473.0Standard polar33892256
Muramic acid,5TMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2256.4Semi standard non polar33892256
Muramic acid,5TMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2353.6Standard non polar33892256
Muramic acid,5TMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2445.6Standard polar33892256
Muramic acid,6TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2322.1Semi standard non polar33892256
Muramic acid,6TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2399.6Standard non polar33892256
Muramic acid,6TMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@@H]1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2360.1Standard polar33892256
Muramic acid,1TBDMS,isomer #1C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O2355.6Semi standard non polar33892256
Muramic acid,1TBDMS,isomer #2C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O2387.0Semi standard non polar33892256
Muramic acid,1TBDMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N)C(=O)O2350.1Semi standard non polar33892256
Muramic acid,1TBDMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2334.6Semi standard non polar33892256
Muramic acid,1TBDMS,isomer #5C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2375.2Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O2548.2Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #10C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2582.8Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #11C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2673.5Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #2C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O2549.8Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #3C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2541.5Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2564.0Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O2550.6Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #6C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2571.3Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #7C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2599.1Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #8C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2513.8Semi standard non polar33892256
Muramic acid,2TBDMS,isomer #9C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2570.7Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O2769.4Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #10C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2814.9Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #11C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2896.7Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #12C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2787.2Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #13C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2878.2Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #14C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2889.0Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2738.8Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2796.1Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2758.1Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #5C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2802.6Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #6C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2801.4Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #7C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2877.8Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #8C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2754.6Semi standard non polar33892256
Muramic acid,3TBDMS,isomer #9C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2808.6Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N)C(=O)O[Si](C)(C)C(C)(C)C2955.8Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #10C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3115.7Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #11C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3090.1Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O2998.8Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2982.4Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #4C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3096.9Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #5C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2997.6Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #6C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3101.4Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #7C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3102.6Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #8C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3003.5Semi standard non polar33892256
Muramic acid,4TBDMS,isomer #9C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3110.0Semi standard non polar33892256
Muramic acid,5TBDMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3181.1Semi standard non polar33892256
Muramic acid,5TBDMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3196.7Standard non polar33892256
Muramic acid,5TBDMS,isomer #1C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2992.2Standard polar33892256
Muramic acid,5TBDMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3325.3Semi standard non polar33892256
Muramic acid,5TBDMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3168.3Standard non polar33892256
Muramic acid,5TBDMS,isomer #2C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3021.6Standard polar33892256
Muramic acid,5TBDMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3310.2Semi standard non polar33892256
Muramic acid,5TBDMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3216.4Standard non polar33892256
Muramic acid,5TBDMS,isomer #3C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2940.4Standard polar33892256
Muramic acid,5TBDMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3330.9Semi standard non polar33892256
Muramic acid,5TBDMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3228.8Standard non polar33892256
Muramic acid,5TBDMS,isomer #4C[C@@H](O[C@@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2986.3Standard polar33892256
Muramic acid,5TBDMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3324.1Semi standard non polar33892256
Muramic acid,5TBDMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3241.8Standard non polar33892256
Muramic acid,5TBDMS,isomer #5C[C@@H](O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](O)[C@@H]1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2962.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Muramic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-003r-9520000000-91bf5f5e77865f5b146f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Muramic acid GC-MS (4 TMS) - 70eV, Positivesplash10-00fr-5722490000-e41bf810e5d7a6b7be4b2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Muramic acid 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 - Muramic acid 10V, Positive-QTOFsplash10-0f89-0190000000-d990980701f6306133602017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 20V, Positive-QTOFsplash10-01q9-5950000000-a7012f82e4f7a8356db22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 40V, Positive-QTOFsplash10-01xx-9500000000-9b72e362c6da0556143a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 10V, Negative-QTOFsplash10-0udr-7390000000-24dfc3347bddf790ce962017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 20V, Negative-QTOFsplash10-0019-9830000000-eac28b7b8efa7e1d642a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 40V, Negative-QTOFsplash10-007d-9400000000-8a1ef61dfc5b55d91d452017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 10V, Negative-QTOFsplash10-000i-9000000000-8ffd847778e88673df792021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 20V, Negative-QTOFsplash10-007c-9000000000-bb66080cf35469c7116f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 40V, Negative-QTOFsplash10-000f-9000000000-dec404b78b57490bbf3a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 10V, Positive-QTOFsplash10-0ue9-0190000000-2826fd1498ec2b1ac21d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 20V, Positive-QTOFsplash10-0il0-2940000000-9cd55fcc2e559c11de762021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Muramic acid 40V, Positive-QTOFsplash10-0fxx-9800000000-6d882558ee7ae32f13f82021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen LocationsNot Available
Tissue Locations
  • Spleen
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 IDFDB023131
KNApSAcK IDC00019555
Chemspider ID17216223
KEGG Compound IDC06470
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMuramic acid
METLIN ID3381
PubChem Compound22833605
PDB IDNot Available
ChEBI ID28118
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Hoijer MA, Melief MJ, van Helden-Meeuwsen CG, Eulderink F, Hazenberg MP: Detection of muramic acid in a carbohydrate fraction of human spleen. Infect Immun. 1995 May;63(5):1652-7. [PubMed:7729869 ]
  2. Kozar MP, Krahmer MT, Fox A, Gray BM: Failure To detect muramic acid in normal rat tissues but detection in cerebrospinal fluids from patients with Pneumococcal meningitis. Infect Immun. 2000 Aug;68(8):4688-98. [PubMed:10899874 ]
  3. Fox A, Fox K, Christensson B, Harrelson D, Krahmer M: Absolute identification of muramic acid, at trace levels, in human septic synovial fluids in vivo and absence in aseptic fluids. Infect Immun. 1996 Sep;64(9):3911-5. [PubMed:8751949 ]
  4. Christensson B, Gilbart J, Fox A, Morgan SL: Mass spectrometric quantitation of muramic acid, a bacterial cell wall component, in septic synovial fluids. Arthritis Rheum. 1989 Oct;32(10):1268-72. [PubMed:2679561 ]
  5. Mollner S, Braun V: Murein hydrolase (N-acetyl-muramyl-L-alanine amidase) in human serum. Arch Microbiol. 1984 Dec;140(2-3):171-7. [PubMed:6152147 ]
  6. Chen T, Rimpilainen M, Luukkainen R, Mottonen T, Yli-Jama T, Jalava J, Vainio O, Toivanen P: Bacterial components in the synovial tissue of patients with advanced rheumatoid arthritis or osteoarthritis: analysis with gas chromatography-mass spectrometry and pan-bacterial polymerase chain reaction. Arthritis Rheum. 2003 Jun 15;49(3):328-34. [PubMed:12794787 ]
  7. Bal K, Larsson L: New and simple procedure for the determination of muramic acid in chemically complex environments by gas chromatography-ion trap tandem mass spectrometry. J Chromatogr B Biomed Sci Appl. 2000 Jan 28;738(1):57-65. [PubMed:10778926 ]