439184
  -OEChem-04260609182D

 25 24  0     1  0  0  0  0  0999 V2000
    8.5991   -0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7891    1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.7249    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  0  0  0  0
  1  4  1  0  0  0  0
  1  8  2  0  0  0  0
  2 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  1  0  0  0  0
 10  5  1  6  0  0  0
  5 17  1  0  0  0  0
 11  6  1  1  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439184

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIAAAAAAxAIQIAQAIIAAAAAAAAAAAFAAAABEBYAAAAAQAAFIAABAADCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3S)-2,3,5-trihydroxy-4-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R,3S)-2,3,5-trihydroxy-4-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(2R,3S)-2,3,5-trihydroxy-4-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3S)-2,3,5-trihydroxy-4-oxo-pentoxy]phosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3S)-2,3,5-trihydroxy-4-oxo-pentoxy]phosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1/f/h10-11H

> <PUBCHEM_CACTVS_XLOGP>
-3.209

> <PUBCHEM_CACTVS_EXACT_MASS>
230.019

> <PUBCHEM_OPENEYE_MF>
C5H11O8P

> <PUBCHEM_OPENEYE_MW>
230.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C(C(=O)CO)O)O)OP(=O)(O)O

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

> <PUBCHEM_CACTVS_TPSA>
144.52

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
230.019

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
8

> <PUBCHEM_SUBSTANCE_ID>
3499

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00199

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.44
Is a reactant or product of enzyme EC 1.1.1.137
Is a reactant or product of enzyme EC 2.7.1.16
Is a reactant or product of enzyme EC 2.7.1.19
Is a reactant or product of enzyme EC 2.7.1.47
Is a reactant or product of enzyme EC 4.1.2.-
Is a reactant or product of enzyme EC 5.1.3.1
Is a reactant or product of enzyme EC 5.3.1.6
Is a reactant or product of enzyme EC 5.3.1.13

> <PUBCHEM_SUBSTANCE_SYNONYM>
4151-19-3
C00199
D-Ribulose 5-phosphate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
4151-19-3

> <PUBCHEM_XREF_EXT_ID>
C00199

> <PUBCHEM_GENBANK_PROTEIN_ID>
999515
999517
999519
999523
999886
3319009
3891386
3891387
4930130
4930131
4930132
21466109
21466110
21730740
21730741
21730742
21730743
21730744
21730745
21730746
21730747
23200407
23200408
28373310
28373311
28373312
28373313
28374109
28374110
29726866
34810961
34810962
34810963
34810964
40889814
40889815
40889816
40889817
40889818
51247841
51247842
51247843
52695843
52695844
52695845
52695846
52695847
52695848
58177643
58177644
58177645
58177646
58177647
58177648
58177649
58177650
58177651
58177652

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00199

> <PUBCHEM_CID_ASSOCIATIONS>
439184  1

> <PUBCHEM_BONDANNOTATIONS>
10  5  6
11  6  5

$$$$