Ketcher 09031514012D 1   1.00000     0.00000     0

 21 20  0     1  0            999 V2000
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  4  2  1  0     0  0
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  2  9  1  0     0  0
  7 10  1  0     0  0
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 18 19  2  0     0  0
 18 20  1  0     0  0
 13 21  1  6     0  0
M  END
> <ID>
CHEBI:78512

> <NAME>
1-decanoyl-sn-glycero-3-phosphate

> <DEFINITION>
A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as decanoyl.

> <STAR>
3

> <SYNONYM>
1-capryl-sn-glycero-3-phosphate

> <IUPAC_NAME>
(2R)-2-hydroxy-3-(phosphonooxy)propyl decanoate

> <FORMULA>
C13H27O7P

> <MASS>
326.324

> <MONOISOTOPIC_MASS>
326.14944

> <CHARGE>
0

> <SMILES>
C(CCCCCC)CCC(=O)OC[C@H](COP(O)(=O)O)O

> <INCHI>
InChI=1S/C13H27O7P/c1-2-3-4-5-6-7-8-9-13(15)19-10-12(14)11-20-21(16,17)18/h12,14H,2-11H2,1H3,(H2,16,17,18)/t12-/m1/s1

> <INCHIKEY>
CMQAWGIRCVKCMC-GFCCVEGCSA-N

$$$$