670
  -OEChem-02210610032D

 12 11  0     0  0  0  0  0  0999 V2000
    5.1350    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 O   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
    4.2690   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   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
    5.5335    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.2249    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
    3.8015    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    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  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
670

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAIAACgBAgAAAACgAACAAAQgAAIAAACAAAAAABAAAAAEAAAAAAAAAABAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3-dihydroxypropan-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1,3-dihydroxypropan-2-one

> <PUBCHEM_IUPAC_NAME>
1,3-dihydroxypropan-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3-dihydroxypropan-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3-dihydroxypropan-2-one

> <PUBCHEM_NIST_INCHI>
InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

> <PUBCHEM_CACTVS_XLOGP>
-1.03

> <PUBCHEM_OPENEYE_MF>
C3H6O3

> <PUBCHEM_OPENEYE_MW>
90.0779

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(=O)CO)O

> <PUBCHEM_CACTVS_TPSA>
57.53

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
3

> <PUBCHEM_SUBSTANCE_ID>
3484

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00184

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.6
Is a reactant or product of enzyme EC 1.1.1.156
Is a reactant or product of enzyme EC 1.1.99.22
Is a reactant or product of enzyme EC 2.2.1.3
Is a reactant or product of enzyme EC 2.7.1.29
Is a reactant or product of enzyme EC 2.7.1.121
Is a reactant or product of enzyme EC 3.1.3.1

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,3-Dihydroxy-2-propanone
1,3-Dihydroxyacetone
1,3-Dihydroxypropan-2-one
96-26-4
C00184
Dihydroxyacetone
Glycerone

> <PUBCHEM_GENERIC_REGISTRY_NAME>
96-26-4

> <PUBCHEM_XREF_EXT_ID>
C00184

> <PUBCHEM_GENBANK_PROTEIN_ID>
493811
493812
999953
999954
1310738
1310739
1310908
1310909
1310910
1310911
1311175
1311176
1311177
1311178
1311180
1311181
1311182
1311183
1311184
1311185
1311186
1311187
1421390
1421391
1633107
1633108
1633109
1633110
2624848
2624849
3212516
3212517
3212518
3212519
3212520
3212521
4558082
4558083
10835666
10835667
10835668
10835669
13786807
15988073
15988082
15988110
20150782
20150783
20150784
20150785
20150786
20150787
20150788
20150789
20150795
20150796
20150797
20150798
20150799
20150800
20150801
20150802
20663541
20663542
20663545
20663546
22218918
22218919
33357753
33357754
34811649
34811650
38493067
38493068
38493069
38493070
52695497
52695498
52695499
52695500
55670356
55670357
55670358
55670359
71041984
71041985
71041986
71041987
71042280
71042281
71042282

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00184

> <PUBCHEM_CID_ASSOCIATIONS>
670  1

$$$$