756
  -OEChem-04250617252D

  8  7  0     0  0  0  0  0  0999 V2000
    4.2690    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    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  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
756

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAAAgAIAAgQgAIAAAAAAAAAAABAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_IUPAC_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-hydroxyethanal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxyacetaldehyde

> <PUBCHEM_NIST_INCHI>
InChI=1/C2H4O2/c3-1-2-4/h1,4H,2H2

> <PUBCHEM_CACTVS_XLOGP>
-0.89

> <PUBCHEM_CACTVS_EXACT_MASS>
60.0211

> <PUBCHEM_OPENEYE_MF>
C2H4O2

> <PUBCHEM_OPENEYE_MW>
60.052

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C=O)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
60.0211

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
2

> <PUBCHEM_SUBSTANCE_ID>
3564

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00266

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.77
Is a reactant or product of enzyme EC 1.2.1.21
Is a reactant or product of enzyme EC 1.4.3.8
Is a reactant or product of enzyme EC 4.1.1.40
Is a reactant or product of enzyme EC 4.1.2.18
Is a reactant or product of enzyme EC 4.1.2.19
Is a reactant or product of enzyme EC 4.1.2.25
Is a reactant or product of enzyme EC 4.1.2.28

> <PUBCHEM_SUBSTANCE_SYNONYM>
141-46-8
C00266
Glycolaldehyde
Hydroxyacetaldehyde

> <PUBCHEM_GENERIC_REGISTRY_NAME>
141-46-8

> <PUBCHEM_XREF_EXT_ID>
C00266

> <PUBCHEM_GENBANK_PROTEIN_ID>
21465505
21465506
21465507
21465508
21465509
21465510
21465511
21465512
21465513
21465514
21465515
21465516
21465517
21465518
21465519
21465520
21465521
21465522
21465523
21465524
37927164
42543052
42543053
42543054
42543055
42543056
42543057
42543058
42543059
47168820
47168821
47168822
47168823
47168824
47168825
47168826
52695406
52695407
56554150
66361399
73536256
73536257
73536266
73536267

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00266

> <PUBCHEM_CID_ASSOCIATIONS>
756  1

$$$$