Mrv0541 10231314352D          

 25 24  0  0  1  0            999 V2000
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  1  9  1  6  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  7  2  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
> <ID>
CHEBI:75936

> <NAME>
1-O-palmityl-2-acetyl-sn-glycerol

> <DEFINITION>
A 1-alkyl-2-acetylglycerol in which the 1-alkyl group is specified as palmityl (hexadecyl).

> <STAR>
3

> <SYNONYM>
DG(O-16:0/2:0/0:0); 1-O-hexadecyl-2-acetyl-sn-glycerol

> <IUPAC_NAME>
(2S)-1-(hexadecyloxy)-3-hydroxypropan-2-yl acetate

> <FORMULA>
C21H42O4

> <MASS>
358.55580

> <MONOISOTOPIC_MASS>
358.30831

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCOC[C@H](CO)OC(C)=O

> <INCHI>
InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3/t21-/m0/s1

> <INCHIKEY>
QTEHGUUSIIWOOW-NRFANRHFSA-N

> <REAXYS_REGISTRY_NUMBER>
4456114

> <PUBMED_CITATION>
2764021; 2828363; 8743588

$$$$