Ketcher 11201716272D 1   1.00000     0.00000     0

 22 21  0     0  0            999 V2000
    6.6918   -4.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6918   -5.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8256   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8256   -5.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9597   -4.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9597   -5.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   -4.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   -5.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577   -5.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1560   -4.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1560   -5.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2899   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2899   -5.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220   -3.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220   -5.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8880   -4.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0220   -2.5723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6200   -4.0722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7540   -3.5722    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.7540   -2.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7540   -4.5722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  9  7  1  0     0  0
 10  8  1  0     0  0
  1  9  1  0     0  0
  2 10  1  0     0  0
 13 11  1  0     0  0
 14 12  1  0     0  0
  7 13  1  0     0  0
  8 14  1  0     0  0
 11 15  1  0     0  0
 12 16  1  0     0  0
 15 17  1  0     0  0
 15 18  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 20 22  1  0     0  0
 20 17  1  0     0  0
M  CHG  2  19  -1  22  -1
M  END
> <ID>
CHEBI:138436

> <NAME>
hexadecanoyl phosphate(2-)

> <DEFINITION>
An acyl monophosphate(2−) in which the acyl group is specified as hexadecanoyl (palmitoyl), major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
palmitoyl phosphate(2-); hexadecanoyl phosphate

> <IUPAC_NAME>
hexadecanoyl phosphate

> <FORMULA>
C16H31O5P

> <MASS>
334.389

> <MONOISOTOPIC_MASS>
334.19201

> <CHARGE>
-2

> <SMILES>
C(CCCCCCCCCC)CCCCC(OP([O-])(=O)[O-])=O

> <INCHI>
InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)/p-2

> <INCHIKEY>
KUIJPSLAGAQZTC-UHFFFAOYSA-L

> <METACYC_ACCESSION>
CPD-17617

> <PUBMED_CITATION>
16949372

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