Ketcher 07281514322D 1   1.00000     0.00000     0

 19 18  0     0  0            999 V2000
   14.5036   -5.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6359   -5.9066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7684   -5.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5036   -4.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3710   -5.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6359   -6.9067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9023   -5.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0363   -5.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1704   -5.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3043   -5.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382   -5.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5721   -5.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5721   -4.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382   -3.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3043   -4.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1702   -3.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0363   -4.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9023   -3.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7684   -4.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  5  1  1  0     0  0
  4  1  2  0     0  0
  3  2  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
M  END
> <ID>
CHEBI:86988

> <NAME>
2-oxohexadecanoic acid

> <DEFINITION>
An oxo fatty acid that is the 2-oxo derivative of hexadecanoic (palmitic) acid.

> <STAR>
3

> <SYNONYM>
2oxo-PALM; 2-oxopalmitic acid; 2-oxo-hexadecanoic acid; 2-ketopalmitic acid; 2-ketohexadecanoic acid; 2-keto palmitic acid

> <IUPAC_NAME>
2-oxohexadecanoic acid

> <FORMULA>
C16H30O3

> <MASS>
270.40760

> <MONOISOTOPIC_MASS>
270.21949

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCC(=O)C(O)=O

> <INCHI>
InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h2-14H2,1H3,(H,18,19)

> <INCHIKEY>
ZVNHILZUTNYFGT-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1784764

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01060050

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