LMGP10010072
  LIPID_MAPS_STRUCTURE_DATABASE

 43 42  0  0  0  0  0  0  0  0999 V2000
   17.6402    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9279    7.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2155    7.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5033    7.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5033    8.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0520    6.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2285    6.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7910    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3527    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0651    7.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8288    7.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0788    7.4927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.7159    6.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0788    8.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4823    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4823    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7700    6.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0517    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3337    6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6158    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8978    6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1798    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4618    6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7438    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0259    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3079    6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5899    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8719    6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1539    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4360    6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7180    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0735    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3555    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9195    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4836    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0476    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3296    7.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6117    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8937    7.6158    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
 31 32  1  0  0  0  0
  8 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
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <LM_ID>
LMGP10010072

> <COMMON_NAME>
PA 13:0/17:1(9Z)

> <SYSTEMATIC_NAME>
1-tridecanoyl-2-(9Z-heptadecenoyl)-glycero-3-phosphate

> <FORMULA>
C33H63O8P

> <MASS>
618.43

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphates [GP10]

> <SUB_CLASS>
Diacylglycerophosphates [GP1001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PA(30:1); PA(13:0_17:1)

> <INCHI_KEY>
IUGHITQXXGJGCD-AHVPQQLLSA-N

> <INCHI>
InChI=1S/C33H63O8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-33(35)41-31(30-40-42(36,37)38)29-39-32(34)27-25-23-21-19-14-12-10-8-6-4-2/h15-16,31H,3-14,17-30H2,1-2H3,(H2,36,37,38)/b16-15-/t31-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
PA 30:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52928665

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$