713
  -OEChem-04250617302D

  6  5  0     0  0  0  0  0  0999 V2000
    2.5369   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
713

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFgAQAAAAAAAAAAYAAABAAAAIAAAAkAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
formamide

> <PUBCHEM_IUPAC_CAS_NAME>
formamide

> <PUBCHEM_IUPAC_NAME>
formamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formamide

> <PUBCHEM_NIST_INCHI>
InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3)/f/h2H2

> <PUBCHEM_CACTVS_XLOGP>
-0.984

> <PUBCHEM_CACTVS_EXACT_MASS>
45.0215

> <PUBCHEM_OPENEYE_MF>
CH3NO

> <PUBCHEM_OPENEYE_MW>
45.0407

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)N

> <PUBCHEM_CACTVS_TPSA>
43.09

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
45.0215

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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>
3771

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00488

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 3.5.1.49
Is a reactant or product of enzyme EC 3.5.3.8
Is a reactant or product of enzyme EC 4.2.1.66

> <PUBCHEM_SUBSTANCE_SYNONYM>
75-12-7
C00488
Formamide
Methanamide

> <PUBCHEM_GENERIC_REGISTRY_NAME>
75-12-7

> <PUBCHEM_XREF_EXT_ID>
C00488

> <PUBCHEM_GENBANK_PROTEIN_ID>
56554525
71042596

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00488

> <PUBCHEM_CID_ASSOCIATIONS>
713  1

$$$$