MiMeDB: Showing metabocard for 6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine (MMDBc0055611)

Microbial

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:00:18 UTC

Update Date

2025-10-07 16:09:14 UTC

Metabolite ID

MMDBc0055611

Metabolite Identification

Common Name

6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine

Description

6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine is a carbohydrate metabolite. There is limited literature available on this specific compound, indicating that further research may be needed to fully understand its biological significance and functions.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222002D          

 49 50  0  0  1  0            999 V2000
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    3.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    5.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
  7  2  1  4  0  0  0
  8  3  1  4  0  0  0
  9  4  1  6  0  0  0
 10  5  1  1  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20  7  2  0  0  0  0
 11 20  1  1  0  0  0
 21  8  2  0  0  0  0
 12 21  1  6  0  0  0
 22  4  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 13 25  1  6  0  0  0
 14 26  1  6  0  0  0
 27 17  2  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 33  5  1  0  0  0  0
 34  6  1  0  0  0  0
 16 34  1  6  0  0  0
 35  9  1  0  0  0  0
 35 18  1  0  0  0  0
 36 10  1  0  0  0  0
 36 19  1  0  0  0  0
 15 37  1  6  0  0  0
 19 37  1  1  0  0  0
 38 30  1  0  0  0  0
 38 31  1  0  0  0  0
 38 32  2  0  0  0  0
 38 33  1  0  0  0  0
  6 39  1  6  0  0  0
  9 40  1  1  0  0  0
 10 41  1  6  0  0  0
 11 42  1  6  0  0  0
 12 43  1  1  0  0  0
 13 44  1  1  0  0  0
 14 45  1  1  0  0  0
 15 46  1  6  0  0  0
 16 47  1  6  0  0  0
 48 18  1  0  0  0  0
 19 49  1  6  0  0  0
M  CHG  3  23  -1  24  -1  28  -1
M  END


  Mrv1652306172222002D          

 49 50  0  0  1  0            999 V2000
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    3.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849    5.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.8875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
  7  2  1  4  0  0  0
  8  3  1  4  0  0  0
  9  4  1  6  0  0  0
 10  5  1  1  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20  7  2  0  0  0  0
 11 20  1  1  0  0  0
 21  8  2  0  0  0  0
 12 21  1  6  0  0  0
 22  4  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 13 25  1  6  0  0  0
 14 26  1  6  0  0  0
 27 17  2  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 33  5  1  0  0  0  0
 34  6  1  0  0  0  0
 16 34  1  6  0  0  0
 35  9  1  0  0  0  0
 35 18  1  0  0  0  0
 36 10  1  0  0  0  0
 36 19  1  0  0  0  0
 15 37  1  6  0  0  0
 19 37  1  1  0  0  0
 38 30  1  0  0  0  0
 38 31  1  0  0  0  0
 38 32  2  0  0  0  0
 38 33  1  0  0  0  0
  6 39  1  6  0  0  0
  9 40  1  1  0  0  0
 10 41  1  6  0  0  0
 11 42  1  6  0  0  0
 12 43  1  1  0  0  0
 13 44  1  1  0  0  0
 14 45  1  1  0  0  0
 15 46  1  6  0  0  0
 16 47  1  6  0  0  0
 48 18  1  0  0  0  0
 19 49  1  6  0  0  0
M  CHG  3  23  -1  24  -1  28  -1
M  END
> <DATABASE_ID>
MMDBc0055611

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(COP(O)(O)=O)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)OC([H])(O)[C@]([H])(N=C(C)[O-])[C@@]2([H])O)[C@]1([H])N=C(C)[O-])C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H33N2O16P/c1-6(17(27)28)34-16-12(21-8(3)24)19(36-10(13(16)25)5-33-38(30,31)32)37-15-9(4-22)35-18(29)11(14(15)26)20-7(2)23/h6,9-16,18-19,22,25-26,29H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)(H2,30,31,32)/p-3/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18?,19+/m1/s1

> <INCHI_KEY>
XQLZNTOJYKUHKQ-NNRGKNABSA-K

> <FORMULA>
C19H30N2O16P

> <MOLECULAR_WEIGHT>
573.422

> <EXACT_MASS>
573.134940632

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
68

> <JCHEM_AVERAGE_POLARIZABILITY>
50.12923989713927

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(1-oxidoethylidene)amino]oxan-3-yl]oxy}-5-hydroxy-3-[(1-oxidoethylidene)amino]-6-[(phosphonooxy)methyl]oxan-4-yl]oxy}propanoate

> <JCHEM_LOGP>
-3.0739289739999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.363704591335616

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2191734050492165

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6339610997040097

> <JCHEM_POLAR_SURFACE_AREA>
295.57000000000005

> <JCHEM_REFRACTIVITY>
149.72300000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(1-oxidoethylidene)amino]oxan-3-yl]oxy}-5-hydroxy-3-[(1-oxidoethylidene)amino]-6-[(phosphonooxy)methyl]oxan-4-yl]oxy}propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       1.334   3.850   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0      -1.334  11.550   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O-1
HETATM   24  O   UNK     0      -2.667  13.860   0.000  0.00  0.00           O-1
HETATM   25  O   UNK     0       4.001  11.550   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.001  16.170   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334  16.170   0.000  0.00  0.00           O-1
HETATM   29  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.002   7.700   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.898   7.136   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       7.438   9.804   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       1.334  13.090   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   38  P   UNK     0       6.668   8.470   0.000  0.00  0.00           P+0
HETATM   39  H   UNK     0       4.001  14.630   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      -2.667   7.700   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0       4.001  10.010   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       1.334   5.390   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       0.000  12.320   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       2.667  12.320   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0       0.000   7.700   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0      -1.334   5.390   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       1.334  10.010   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.000   3.080   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0      -1.334  10.010   0.000  0.00  0.00           H+0
CONECT    1    6                                                            
CONECT    2    7                                                            
CONECT    3    8                                                            
CONECT    4    9   22                                                       
CONECT    5   10   33                                                       
CONECT    6    1   17   34   39                                             
CONECT    7    2   20   23                                                  
CONECT    8    3   21   24                                                  
CONECT    9    4   15   35   40                                             
CONECT   10    5   13   36   41                                             
CONECT   11   14   18   20   42                                             
CONECT   12   16   19   21   43                                             
CONECT   13   10   16   25   44                                             
CONECT   14   11   15   26   45                                             
CONECT   15    9   14   37   46                                             
CONECT   16   12   13   34   47                                             
CONECT   17    6   27   28                                                  
CONECT   18   11   29   35   48                                             
CONECT   19   12   36   37   49                                             
CONECT   20    7   11                                                       
CONECT   21    8   12                                                       
CONECT   22    4                                                            
CONECT   23    7                                                            
CONECT   24    8                                                            
CONECT   25   13                                                            
CONECT   26   14                                                            
CONECT   27   17                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   38                                                            
CONECT   31   38                                                            
CONECT   32   38                                                            
CONECT   33    5   38                                                       
CONECT   34    6   16                                                       
CONECT   35    9   18                                                       
CONECT   36   10   19                                                       
CONECT   37   15   19                                                       
CONECT   38   30   31   32   33                                             
CONECT   39    6                                                            
CONECT   40    9                                                            
CONECT   41   10                                                            
CONECT   42   11                                                            
CONECT   43   12                                                            
CONECT   44   13                                                            
CONECT   45   14                                                            
CONECT   46   15                                                            
CONECT   47   16                                                            
CONECT   48   18                                                            
CONECT   49   19                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  100    0
END

Synonyms

Not Available

Molecular Formula

C₁₉H₃₀N₂O₁₆P

Average Mass

573.422

Monoisotopic Mass

573.134940632

IUPAC Name

(2R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(1-oxidoethylidene)amino]oxan-3-yl]oxy}-5-hydroxy-3-[(1-oxidoethylidene)amino]-6-[(phosphonooxy)methyl]oxan-4-yl]oxy}propanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@](C)(O[C@@]1([H])[C@]([H])(O)[C@@]([H])(COP(O)(O)=O)O[C@@]([H])(O[C@]2([H])[C@@]([H])(CO)OC([H])(O)[C@]([H])(N=C(C)[O-])[C@@]2([H])O)[C@]1([H])N=C(C)[O-])C([O-])=O

InChI Identifier

InChI=1S/C19H33N2O16P/c1-6(17(27)28)34-16-12(21-8(3)24)19(36-10(13(16)25)5-33-38(30,31)32)37-15-9(4-22)35-18(29)11(14(15)26)20-7(2)23/h6,9-16,18-19,22,25-26,29H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)(H2,30,31,32)/p-3/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18?,19+/m1/s1

InChI Key

XQLZNTOJYKUHKQ-NNRGKNABSA-K

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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Acylaminosugars

Alternative Parents

Substituents

Acylaminosugar
Muramic_acid
N-acyl-alpha-hexosamine
Disaccharide phosphate
O-glycosyl compound
Glycosyl compound
Disaccharide
Alkyl phosphate
Phosphoric acid ester
Oxane
Organic phosphoric acid derivative
Acetamide
Secondary carboxylic acid amide
Secondary alcohol
Hemiacetal
Carboxamide group
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Carbonyl group
Alcohol
Organic anion
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-3.1	ChemAxon
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	295.57 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	149.72 m³·mol⁻¹	ChemAxon
Polarizability	50.13 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	549.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	410.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	130.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	313.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	305.6
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	208.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	631.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	786.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	471.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	155.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	350.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	176.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	62.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	504.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	463.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	64.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	294.1
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	780.9
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	639.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_1	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	945.241
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_2	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	1969.19
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_3	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	1658.76
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_4	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1624.13
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_5	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	1972.62
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_6	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	1068.32
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_7	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	1465.56
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_8	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1529.97
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_9	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2267.15
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_10	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	1988.16
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_11	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2005.64
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_12	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	787.659
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_13	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2844.39
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_14	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2015.55
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_15	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2919.35
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_16	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2058.33
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_17	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2506.21
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_18	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1613.09
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_19	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2249.08
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_20	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2661.22
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_21	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2069.61
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_22	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1565.59
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_23	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2258.21
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_24	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1959.24
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_25	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	611.437
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_26	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1568.57
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_27	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	1823.52
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_28	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2127.84
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_29	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2559.71
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_30	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2423.56
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_31	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	-429.529
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_32	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	3096.95
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_33	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2599.52
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_34	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	3069.82
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_35	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1327.13
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_36	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2679.57
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_37	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1679.37
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_38	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1399.2
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_39	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard non polar	2025-10-24	2112.31
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_40	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	616.432
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_41	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1772.3
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_1	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	2377.62
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_2	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1849.96
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_3	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1902.36
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_4	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2686.08
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_5	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1449.1
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_6	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	3105.13
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_7	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	3481.11
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_8	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2059.61
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_9	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1361.75
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_10	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	2376.22
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_11	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1821.24
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_12	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	2420.29
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_13	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2383.98
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_14	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	3501.1
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_15	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3018.44
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_16	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1577.28
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_17	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1710.73
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_18	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1912.57
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_19	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	2420.67
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_20	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2151.64
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_21	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1174.9
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_22	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1711.73
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_23	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1923.18
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_24	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1196.06
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_25	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	2031.9
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_26	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1913.84
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_27	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1745.92
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_28	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2593.86
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_29	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1793.36
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_30	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2340.59
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_31	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2813.29
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_32	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1287.69
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_33	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	408.957
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_34	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	3427.95
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_35	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1881.17
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_36	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	1337.02
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_37	CC([O-])=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1789.94
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_38	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2397.58
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_39	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O	standard polar	2025-10-24	733.079
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_40	CC([O-])=N[C@H]1C(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1321.39
Gas Chromatography	6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine_TMS_41	CC([O-])=N[C@H]1C(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2N=C(C)[O-])[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3032.8

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0025941	N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine	L-Histidine	PTS system MurNAc-GlcNAc-specific EIIBC component	Transport	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Firmicutes	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

155802554

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for 6-phospho-N-acetyl-beta-D-muramate-(1->4)-N-acetyl-D-glucosamine (MMDBc0055611)

MOL for #<Metabolite:0x00007f2dfa1edb40>

3D MOL for #<Metabolite:0x00007f2dfa1edb40>

3D SDF for #<Metabolite:0x00007f2dfa1edb40>

3D-SDF for #<Metabolite:0x00007f2dfa1edb40>

PDB for #<Metabolite:0x00007f2dfa1edb40>

3D PDB for #<Metabolite:0x00007f2dfa1edb40>

SMILES for #<Metabolite:0x00007f2dfa1edb40>

INCHI for #<Metabolite:0x00007f2dfa1edb40>

Structure for #<Metabolite:0x00007f2dfa1edb40>

3D Structure for #<Metabolite:0x00007f2dfa1edb40>