LMGP10010021
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0  0  0  0  0  0  0  0999 V2000
   12.1336    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4236    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    7.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    8.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5441    6.4882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7232    6.4882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2935    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8438    7.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5539    7.1982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3119    7.1811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5643    7.4855    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.2026    6.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5643    8.2331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9794    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9794    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2694    6.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8378    6.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1221    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064    6.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6908    6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9751    6.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5784    7.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8627    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1470    7.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4313    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    7.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1982    0.0000 C   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  2  0  0  0  0
  4  8  1  0  0  0  0
  1  7  1  6  0  0  0
  1  6  1  1  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15  7  1  0  0  0  0
 12 10  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
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMGP10010021

> <COMMON_NAME>
PA 8:0/8:0

> <SYSTEMATIC_NAME>
1,2-dioctanoyl-sn-glycero-3-phosphate

> <FORMULA>
C19H37O8P

> <MASS>
424.22

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphates [GP10]

> <SUB_CLASS>
Diacylglycerophosphates [GP1001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Octanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-; 1,2-Dioctanoyl-sn-glycero-3-phosphatidic acid; PA(16:0); PA(8:0_8:0)

> <INCHI_KEY>
XYSBQYUENLDGMI-QGZVFWFLSA-N

> <INCHI>
InChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0114771

> <CHEBI_ID>
79075

> <ABBREVIATION>
PA 16:0

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000025493

> <PUBCHEM_COMPOUND_ID>
128167

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$