Ketcher 08171711452D 1   1.00000     0.00000     0

 24 24  0     0  0            999 V2000
    0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5979    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    2.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  6     0  0
  1  2  1  0     0  0
  2 15  1  6     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  4  7  1  1     0  0
  3  5  1  0     0  0
  5 11  1  1     0  0
  4  6  1  0     0  0
  5  6  1  0     0  0
  6  8  1  6     0  0
  9  7  1  0     0  0
  9 19  1  0     0  0
  9 10  1  1     0  0
 11 12  1  0     0  0
 13 22  2  0     0  0
 22 14  1  0     0  0
 15 16  1  0     0  0
 16 18  2  0     0  0
 16 17  1  0     0  0
 19 24  1  0     0  0
 19 20  2  0     0  0
 22 21  1  0     0  0
 22 23  1  0     0  0
M  CHG  3  21  -1  23  -1  24  -1
M  END
> <ID>
CHEBI:137594

> <NAME>
N-acetyl-alpha-D-muramate 1-phosphate(3-)

> <DEFINITION>
An organophosphate oxoanion that is the trianion arising from deprotonation of the phosphate and carboxylic acid functions of N-acetyl-α-D-muramate 1-phosphate. Major microspecies at pH 7.3.

> <STAR>
3

> <SYNONYM>
N-acetyl-alpha-D-muramate 1-phosphate

> <IUPAC_NAME>
2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-1-O-phosphonato-alpha-D-glucopyranose

> <FORMULA>
C11H17NO11P

> <MASS>
370.227

> <MONOISOTOPIC_MASS>
370.05557

> <CHARGE>
-3

> <SMILES>
[C@@H]1(OP(=O)([O-])[O-])[C@H](NC(=O)C)[C@@H](O[C@@H](C([O-])=O)C)[C@@H]([C@H](O1)CO)O

> <INCHI>
InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/p-3/t4-,6-,7-,8-,9-,11-/m1/s1

> <INCHIKEY>
DTSXRQWOCZUNPL-YVNCZSHWSA-K

> <REAXYS_REGISTRY_NUMBER>
11049317

> <METACYC_ACCESSION>
CPD0-1643

> <PUBMED_CITATION>
25767118

$$$$