Marvin  11011115332D          

 15 15  0  0  1  0            999 V2000
   11.6179   -5.5067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6179   -6.3317    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9034   -5.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9034   -6.7442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1889   -5.5067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1889   -6.3317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3324   -5.0941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3324   -6.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9034   -7.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4744   -6.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4744   -5.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7600   -5.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3324   -7.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0468   -7.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6179   -7.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  1  0  0  0
  2  8  1  1  0  0  0
  4  9  1  1  0  0  0
  6 10  1  6  0  0  0
  5 11  1  1  0  0  0
 12 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
> <ID>
CHEBI:63154

> <NAME>
N-acetyl-beta-D-mannosamine

> <DEFINITION>
An N-acetyl-D-mannosamine having β-configuration at its anomeric centre.

> <STAR>
3

> <SYNONYM>
WURCS=2.0/1,1,0/[a1122h-1b_1-5_2*NCC/3=O]/1/; N-acetyl-beta-mannosamine; beta-ManNAc

> <IUPAC_NAME>
2-acetamido-2-deoxy-beta-D-mannopyranose

> <FORMULA>
C8H15NO6

> <MASS>
221.20780

> <MONOISOTOPIC_MASS>
221.08994

> <CHARGE>
0

> <SMILES>
CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6-,7-,8-/m1/s1

> <INCHIKEY>
OVRNDRQMDRJTHS-OZRXBMAMSA-N

> <REAXYS_REGISTRY_NUMBER>
1346524

> <METACYC_ACCESSION>
N-ACETYL-D-MANNOSAMINE

> <WIKIPEDIA_ACCESSION>
N-acetylmannosamine

> <PUBMED_CITATION>
15280054; 15936003; 30583222; 8154046

$$$$