Marvin  08311115162D          

 27 26  0  0  1  0            999 V2000
    7.7919  -12.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993  -12.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2068  -12.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9143  -12.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6216  -12.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3291  -12.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0365  -12.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7440  -12.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7919  -11.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0844  -12.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9411  -12.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2266  -12.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555  -12.9185    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3700  -12.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555  -13.7435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5120  -12.5059    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5120  -11.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977  -12.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986  -13.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5132  -13.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2346  -14.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9420  -13.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6496  -14.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3570  -13.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0862  -14.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7859  -13.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7988  -14.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
  9  1  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 13 15  1  1  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5  4  1  0  0  0  0
 22 23  1  0  0  0  0
  5  6  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
 26  8  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
M  END
> <ID>
CHEBI:15799

> <NAME>
1-palmitoyl-sn-glycerol 3-phosphate

> <DEFINITION>
A 1-acyl-sn-glycerol 3-phosphate having palmitoyl as the acyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:664; CHEBI:11279; CHEBI:19078

> <SYNONYM>
Lysophosphatidic acid(16:0/0:0); Lysophosphatidic acid(16:0); LysoPA(16:0/0:0); LPA(16:0/0:0); 1-Palmitoylglycerol 3-phosphate; 1-Hexadecanoyl-sn-glycero-3-phosphate; (2R)-2-hydroxy-3-(phosphonooxy)propyl palmitate

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

> <FORMULA>
C19H39O7P

> <MASS>
410.48250

> <MONOISOTOPIC_MASS>
410.24334

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1

> <INCHIKEY>
YNDYKPRNFWPPFU-GOSISDBHSA-N

> <KEGG_COMPOUND_ACCESSION>
C04036

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP10050006

$$$$