Marvin  09101311512D          

 25 24  0  0  0  0            999 V2000
    7.6713   -0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9613   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2508   -0.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5408   -0.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8305   -0.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6707   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3864   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1021   -0.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1067    0.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6174   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1567   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8712   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6962   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4107   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1251   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8396   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5540   -0.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2685   -0.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2506   -1.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <ID>
CHEBI:75568

> <NAME>
1-monolinolein

> <DEFINITION>
A 1-monoglyceride that has octadecadienoyl (linoleoyl) as the acyl group.

> <STAR>
3

> <SYNONYM>
octadeca-9,12-dienoic acid-(2,3-dihydroxy-propyl ester); monolinolein; Glycerol 1-monolinolate; alpha-Glyceryl linoleate; 2,3-Dihydroxypropyl linoleate; 1-monolinolein; 1-Linoleylglycerol; 1-Linoleoylglycerol; 1-(9Z,12Z-octadecadienoyl)-glycerol

> <IUPAC_NAME>
2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate

> <FORMULA>
C21H38O4

> <MASS>
354.52400

> <MONOISOTOPIC_MASS>
354.27701

> <CHARGE>
0

> <SMILES>
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CO

> <INCHI>
InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-

> <INCHIKEY>
WECGLUPZRHILCT-HZJYTTRNSA-N

> <CAS_REGISTRY_NUMBER>
2277-28-3

> <REAXYS_REGISTRY_NUMBER>
1802720

> <CHEMIDPLUS>
2277-28-3

> <PUBMED_CITATION>
14661857; 18973338; 3707358

$$$$