Ketcher 04081613592D 1   1.00000     0.00000     0

 27 28  0     1  0            999 V2000
   15.6659   -2.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6659   -3.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7999   -2.2755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7999   -4.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9339   -2.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9339   -3.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5319   -2.2755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5319   -4.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7999   -5.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0678   -4.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0678   -2.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2018   -2.7754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2018   -4.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2018   -5.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3357   -4.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3357   -6.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4698   -4.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4698   -5.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0678   -6.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3357   -7.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6036   -6.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6036   -4.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7376   -4.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8716   -4.2754    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.0055   -4.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8716   -3.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8716   -5.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  5  6  1  0     0  0
  1  7  1  6     0  0
  2  8  1  6     0  0
  4  9  1  1     0  0
  6 10  1  6     0  0
  5 11  1  1     0  0
 12 11  1  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
 14 16  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 17 18  1  0     0  0
 13 10  1  6     0  0
 14 19  1  6     0  0
 16 20  1  1     0  0
 18 21  1  6     0  0
 17 22  1  1     0  0
 23 22  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
 24 27  1  0     0  0
M  END
> <ID>
CHEBI:15703

> <NAME>
alpha-maltose 6'-phosphate

> <DEFINITION>
A maltose phosphate having the phosphate group placed at the 6'-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6669; CHEBI:6670; CHEBI:14569; CHEBI:25142

> <SYNONYM>
Maltose 6'-phosphate

> <IUPAC_NAME>
alpha-D-glucopyranosyl-(1->4)-D-glucose 6'-(dihydrogen phosphate)

> <FORMULA>
C12H23O14P

> <MASS>
422.277

> <MONOISOTOPIC_MASS>
422.08254

> <CHARGE>
0

> <SMILES>
[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(O)(=O)O)O)O)O)O)O)O

> <INCHI>
InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1

> <INCHIKEY>
ITPHOIFCAFNCLL-ASMJPISFSA-N

> <KEGG_COMPOUND_ACCESSION>
C02995

> <KEGG_GLYCAN_ACCESSION>
G10519

$$$$