Marvin  01081315022D          

 26 27  0  0  1  0            999 V2000
   10.3853   -6.6099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3853   -7.4349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6707   -6.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6707   -7.8474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9563   -6.6099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9563   -7.4349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0997   -6.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0997   -7.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6707   -8.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418   -7.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2418   -6.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5273   -6.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2432   -4.9599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2432   -5.7849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5286   -4.5474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5286   -6.1974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8142   -4.9599    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8142   -5.7849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9576   -4.5474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9576   -6.1974    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5286   -7.0224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0997   -4.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3853   -4.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9576   -7.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6721   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2432   -7.4349    0.0000 O   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
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  1  0  0  0
 14 20  1  6  0  0  0
 16 21  1  1  0  0  0
 18  7  1  6  0  0  0
 17 22  1  1  0  0  0
 23 22  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
> <ID>
CHEBI:71553

> <NAME>
beta-D-Manp-(1->4)-beta-D-GlcpNAc

> <DEFINITION>
An amino disaccharide comprising a β-D-mannose residue linked (1→4) to an N-acetyl-β-D-glucosamine residue at the reducing end.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:91285

> <SYNONYM>
WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2/a4-b1; Manbeta1-4GlcNAcbeta; Manb1-4GlcNAcb; beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosamine; beta-D-Man-(1->4)-beta-D-GlcNAc; 2-acetamido-2-deoxy-4-O-beta-D-mannopyranosyl-beta-D-glucopyranose; 2-(acetylamino)-2-deoxy-4-O-beta-D-mannopyranosyl-beta-D-glucopyranose

> <IUPAC_NAME>
beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose

> <FORMULA>
C14H25NO11

> <MASS>
383.34840

> <MONOISOTOPIC_MASS>
383.14276

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14+/m1/s1

> <INCHIKEY>
KFEUJDWYNGMDBV-JVHZDDNZSA-N

> <PUBMED_CITATION>
19443021; 25568069; 31537530

$$$$