-OEChem-06111213162D

  5  4  0     0  0  0  0  0  0999 V2000
 -999.0000  138.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2747  138.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -499.5000  423.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  496.1560  423.4150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  995.6560  138.9320    0.0000 C   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
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
2179

> <PUBCHEM_SUBSTANCE_VERSION>
11

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
BUTANAL

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: n-Alkanals
Is a reactant of enzyme EC 1.2.1.57
Is a product of enzyme EC 1.3.1.-
Is a product of enzyme EC 1.1.1.-
Is a reactant of enzyme EC 1.1.1.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-butanal
123-72-8
butanal
butyraldehyde
n-butyraldehyde

> <PUBCHEM_GENERIC_REGISTRY_NAME>
123-72-8

> <PUBCHEM_XREF_EXT_ID>
BUTANAL

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.biocyc.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=BUTANAL

> <PUBCHEM_CID_ASSOCIATIONS>
261  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$