Marvin  10031315152D          

 23 22  0  0  0  0            999 V2000
   11.2726   -8.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9869   -9.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1302   -8.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8447   -9.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4158   -9.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7014   -8.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5580   -9.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2726   -7.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4157   -9.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8436   -8.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1291   -9.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4146   -8.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002   -9.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9858   -8.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2712   -9.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5568   -8.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8436   -7.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1291   -7.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4146   -7.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002   -7.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9858   -7.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2712   -7.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5568   -7.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  2  0  0  0  0
  1  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  7  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
> <ID>
CHEBI:69081

> <NAME>
1-monopalmitoylglycerol

> <DEFINITION>
A 1-monoglyceride that has palmitoyl as the acyl group. A natural product found in Neolitsea daibuensis.

> <STAR>
3

> <SYNONYM>
palmitin, 1-mono; palmitic acid alpha-monoglyceride; hexadecanoic acid, 2,3-dihydroxypropyl ester; glyceryl palmitate; glycerol 3-palmitate; glycerol 1-palmitate; glycerol 1-monopalmitate; alpha-monopalmitin; 2,3-dihydroxypropyl hexadecanoate; 1-palmitoylglycerol; 1-hexadecanoylglycerol

> <IUPAC_NAME>
2,3-dihydroxypropyl palmitate

> <FORMULA>
C19H38O4

> <MASS>
330.50260

> <MONOISOTOPIC_MASS>
330.27701

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OCC(O)CO

> <INCHI>
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3

> <INCHIKEY>
QHZLMUACJMDIAE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
542-44-9

> <REAXYS_REGISTRY_NUMBER>
1728235

> <CHEMIDPLUS>
542-44-9

> <LINCS_ACCESSION>
LSM-4482

> <METACYC_ACCESSION>
CPD-8508

> <PUBMED_CITATION>
15357000; 22148193

$$$$