439427
  -OEChem-02210611082D

 29 29  0     1  0  0  0  0  0999 V2000
    3.4030   -0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    2.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471    2.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1 17  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  6  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  1  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  6  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439427

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQI8YMAAAAAAAAAAAAAAAAAAAAAAACQAAAAAAAAAAAAAGgAAACAIAACwFAgACAADgBAHAAAAAEAAAACAAAAAAAAAAAAAEBEAAAAAAAIFAEACAAcAAAxgwAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxyphosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1/f/h11-12H

> <PUBCHEM_CACTVS_XLOGP>
-3.643

> <PUBCHEM_OPENEYE_MF>
C6H13O9P

> <PUBCHEM_OPENEYE_MW>
260.136

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
156.91

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
4399

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01172

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.49
Is a reactant or product of enzyme EC 2.7.1.1
Is a reactant or product of enzyme EC 2.7.1.2
Is a reactant or product of enzyme EC 2.7.1.63
Is a reactant or product of enzyme EC 3.2.1.86
Is a reactant or product of enzyme EC 5.1.3.15
Is a reactant or product of enzyme EC 5.3.1.9
Is a reactant or product of enzyme EC 5.4.2.6

> <PUBCHEM_SUBSTANCE_SYNONYM>
C01172
beta-D-Glucose 6-phosphate

> <PUBCHEM_XREF_EXT_ID>
C01172

> <PUBCHEM_GENBANK_PROTEIN_ID>
229993
230244
230790
1421566
1421567
3319075
3319076
3402138
3891376
5107491
5542103
5542104
5542527
6573505
6573639
6573640
7245352
7245424
7245763
7245764
7546523
7546524
7546525
7546526
7546527
7546528
7546529
7546530
10835796
10835797
12084544
12084545
12084546
14278141
14278142
14278143
14278144
14278239
14488628
14488629
14488680
15826114
15826115
21465638
21465639
21465640
21465641
21465895
21465896
21730305
21730379
21730380
21730381
21730382
23200374
23200375
24158668
24158669
24987288
27573759
28948422
28948423
28948424
28948425
28948769
28948770
28949023
29726862
29726863
40889466
40889467
40889473
40889474
40889475
40889476
46014898
46014899
46014900
46014901
46014902
46014903
46015797
47169424
47169425
49258906
50513338
50513682
51247222
51247223
51247785
51247786
51247787
51247788
55670728
55670729
56554097
56554098
56554099
56554100
56554101
56554102
56554404
56554405
56554406
56554407
56966012
56966013
58177277
58177278
58177279
58177280
62738516
62738517
66361313
66361314
66361315
66361316
66361514
66361517
66361518

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01172

> <PUBCHEM_CID_ASSOCIATIONS>
439427  1

> <PUBCHEM_BONDANNOTATIONS>
1  3  6
2  6  5
5  8  6
7  10  5
9  11  6

$$$$