757
  -OEChem-02210611192D

  9  8  0     0  0  0  0  0  0999 V2000
    4.2690    0.7500    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
    5.1350    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    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
    4.6675    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2249    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
    2.0000    0.4400    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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
757

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAIAACgAAAACAACgAACAACQAAAIAAACCAAAAABAAAAAEAEAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxyacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxyacetic acid

> <PUBCHEM_IUPAC_NAME>
2-hydroxyacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-hydroxyethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxyacetic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/f/h4H

> <PUBCHEM_CACTVS_XLOGP>
-1.008

> <PUBCHEM_OPENEYE_MF>
C2H4O3

> <PUBCHEM_OPENEYE_MW>
76.0514

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

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

> <PUBCHEM_CACTVS_TPSA>
57.53

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
1

> <PUBCHEM_SUBSTANCE_ID>
3460

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00160

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.26
Is a reactant or product of enzyme EC 1.1.1.29
Is a reactant or product of enzyme EC 1.1.1.79
Is a reactant or product of enzyme EC 1.1.3.15
Is a reactant or product of enzyme EC 1.1.99.14
Is a reactant or product of enzyme EC 1.2.1.21
Is a reactant or product of enzyme EC 3.1.3.18
Is a reactant or product of enzyme EC 3.7.1.-
Is a reactant or product of enzyme EC 3.8.1.2
Is a reactant or product of enzyme EC 3.8.1.3
Is a reactant or product of enzyme EC 4.2.99.12

> <PUBCHEM_SUBSTANCE_SYNONYM>
79-14-1
C00160
Glycolate
Glycolic acid
Hydroxyacetic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
79-14-1

> <PUBCHEM_XREF_EXT_ID>
C00160

> <PUBCHEM_GENBANK_PROTEIN_ID>
494035
494036
999542
999543
2554675
2624594
2914420
2914421
3212552
4699779
4699780
6435568
6435569
6435582
6435583
6435584
6435585
8569435
51247635
51247636
56554398
56554399
60593513
60593514
60593515
60593516
60593517
60593518
60593519
60593520

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00160

> <PUBCHEM_CID_ASSOCIATIONS>
757  1

$$$$

