Marvin  04291014082D          

 29 30  0  0  1  0            999 V2000
   41.4042   -4.9773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.6897   -5.3898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   40.6897   -6.2149    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   41.4042   -6.6274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   42.1186   -6.2149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   42.1186   -5.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8331   -4.9773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.8331   -6.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.4042   -7.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.9752   -6.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.9752   -4.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6897   -7.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9752   -7.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2608   -7.8649    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   39.2608   -8.6899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   39.9752   -9.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   40.6897   -8.6899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   41.4042   -9.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.1186   -8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5627   -9.8169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3877   -9.8169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.5463   -9.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.8318   -8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1173   -9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4029   -8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8318   -7.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.1173   -9.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.8318  -10.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5463   -7.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  6  0  0  0
  4  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  1  0  0  0
  9 12  1  0  0  0  0
 17 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 16 20  1  1  0  0  0
 16 21  1  6  0  0  0
 15 22  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 14 29  1  6  0  0  0
M  END
> <ID>
CHEBI:59327

> <NAME>
4,6-dideoxy-4-(2-methoxypropionamido)-3-C,2-O-dimethyl-L-mannopyranosyl-(1->3)-L-fucopyranose

> <DEFINITION>
An amino disaccharide consisting of N-(2-methoxypropionyl)kansosamine linked via a glycosidic bond (of unspecified configuration) to O-3 of L-fucose.

> <STAR>
3

> <SYNONYM>
N-(2-methoxypropionyl)kansosaminyl-(1->3)-L-fucopyranose; KanNAcyl(1->3)-L-Fucp; 6-deoxy-3-O-[4,6-dideoxy-4-(2-methoxypropanamido)-3-C-methyl-2-O-methyl-L-mannopyranosyl]-D-galactopyranose

> <IUPAC_NAME>
4,6-dideoxy-4-(2-methoxypropanamido)-3-C-methyl-2-O-methyl-L-mannopyranosyl-(1->3)-6-deoxy-D-galactopyranose

> <FORMULA>
C18H33NO10

> <MASS>
423.45530

> <MONOISOTOPIC_MASS>
423.21045

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C18H33NO10/c1-7-10(20)12(11(21)16(23)27-7)29-17-14(26-6)18(4,24)13(8(2)28-17)19-15(22)9(3)25-5/h7-14,16-17,20-21,23-24H,1-6H3,(H,19,22)/t7-,8+,9?,10+,11-,12+,13+,14+,16?,17?,18-/m1/s1

> <INCHIKEY>
WXRMULXJDGUOQT-OTBWFBDLSA-N

> <PUBMED_CITATION>
2411286

$$$$