Ketcher 10191712482D 1   1.00000     0.00000     0

 15 14  0     1  0            999 V2000
   18.9019  -42.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7680  -41.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6341  -42.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5000  -41.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3660  -42.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2321  -41.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0980  -42.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0359  -41.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7680  -40.7365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6341  -43.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5000  -40.7365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3660  -43.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9019  -40.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9019  -39.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0277  -40.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  7  6  1  0     0  0
  8  1  2  0     0  0
  2  9  1  1     0  0
  3 10  1  6     0  0
  4 11  1  6     0  0
  5 12  1  1     0  0
  9 13  1  0     0  0
 13 14  2  0     0  0
 13 15  1  0     0  0
M  END
> <ID>
CHEBI:17122

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

> <DEFINITION>
An N-acetylmannosamine in open-chain aldehyde form with D-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12459; CHEBI:7141; CHEBI:21538; CHEBI:58019; CHEBI:12573

> <SYNONYM>
N-Acetyl-D-mannosamine; D-ManNAc; aldehydo-N-acetyl-D-mannosamine; 2-Acetamido-2-deoxy-D-mannose

> <IUPAC_NAME>
N-acetyl-D-mannosamine

> <FORMULA>
C8H15NO6; C8H15NO6

> <MASS>
221.208

> <MONOISOTOPIC_MASS>
221.08994

> <CHARGE>
0

> <SMILES>
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)C)=O

> <INCHI>
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1

> <INCHIKEY>
MBLBDJOUHNCFQT-WCTZXXKLSA-N

> <CAS_REGISTRY_NUMBER>
3615-17-6

> <KEGG_COMPOUND_ACCESSION>
C00645

$$$$