LMGP10010047
  LIPID_MAPS_STRUCTURE_DATABASE

 41 40  0  0  0  0  0  0  0  0999 V2000
   16.9241    7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2117    7.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4991    7.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7868    7.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7868    8.4384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3359    6.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5123    6.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0743    7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6367    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3492    7.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1131    7.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3630    7.4930    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.0000    6.8639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3630    8.2432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7659    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7659    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0535    6.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3352    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6171    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8990    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1809    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4628    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7447    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0266    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3085    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5904    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8724    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4362    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3568    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6387    7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9206    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7663    7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0482    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301    7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6120    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8940    7.2048    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
 23 24  1  0  0  0  0
 24 25  2  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
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  8 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <LM_ID>
LMGP10010047

> <COMMON_NAME>
PA 12:0/16:1(9Z)

> <SYSTEMATIC_NAME>
1-dodecanoyl-2-(9Z-hexadecenoyl)-glycero-3-phosphate

> <FORMULA>
C31H59O8P

> <MASS>
590.39

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphates [GP10]

> <SUB_CLASS>
Diacylglycerophosphates [GP1001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PA(28:1); PA(12:0_16:1)

> <INCHI_KEY>
UARCTMUVJALMHM-FOIMXDHRSA-N

> <INCHI>
InChI=1S/C31H59O8P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-12-10-8-6-4-2/h13-14,29H,3-12,15-28H2,1-2H3,(H2,34,35,36)/b14-13-/t29-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197196

> <ABBREVIATION>
PA 28:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000025870

> <PUBCHEM_COMPOUND_ID>
52928640

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$