Marvin  10021310162D          

 25 24  0  0  0  0            999 V2000
   25.5109   -8.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3591   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2073   -8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0555   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9037   -8.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7519   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7519   -6.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6001   -8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4482   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2964   -8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1446   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9928   -8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8410   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6892   -8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5374   -8.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3855   -8.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3855  -10.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5374  -10.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6892  -10.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8410  -10.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9928  -10.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1446  -10.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2964  -10.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4482  -10.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2073  -10.1771    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  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  1  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
  3 25  1  0  0  0  0
M  END
> <ID>
CHEBI:75342

> <NAME>
1-oleoylglycerol

> <DEFINITION>
A 1-monoglyceride where the acyl group is oleoyl.

> <STAR>
3

> <SYNONYM>
MG (18:1/0:0/0:0); 2,3-dihydroxypropyl oleate; 1-oleoylglycerol; 1-oleoyl-rac-glycerol; 1-monooleoylglycerol; 1-monooleoyl-rac-glycerol; 1-monoolein; 1-(9Z-octadecenoyl)-rac-glycerol; 1-(9Z-octadecenoyl)-glycerol

> <IUPAC_NAME>
2,3-dihydroxypropyl (9Z)-octadec-9-enoate

> <FORMULA>
C21H40O4

> <MASS>
356.53990

> <MONOISOTOPIC_MASS>
356.29266

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-

> <INCHIKEY>
RZRNAYUHWVFMIP-KTKRTIGZSA-N

> <CAS_REGISTRY_NUMBER>
111-03-5

> <REAXYS_REGISTRY_NUMBER>
1728977

> <CHEMIDPLUS>
111-03-5

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGL01010005

> <METACYC_ACCESSION>
CPD-11690

> <PUBMED_CITATION>
11283027; 22651926; 6269644

$$$$