LMGP20070012
  LIPID_MAPS_STRUCTURE_DATABASE

 39 38  0     0  0            999 V2000
    5.7956    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0951    0.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    2.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2870   -0.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3042   -0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6459    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4961    0.6624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6010    0.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7059    1.0064    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.2729    0.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7059    1.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -2.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3166   -0.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4594   -1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024   -0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7455   -1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1113   -0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683   -1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8252   -0.6558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6817    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0320    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8890    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7459    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6027    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4597    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3166    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1735    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0303    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8873    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7442    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6010    0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9683   -2.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024    0.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  4  8  1  0     0  0
  1  7  1  6     0  0
  1  6  1  1     0  0
  9  1  1  0     0  0
 10  9  1  0     0  0
 12 11  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 15 16  2  0     0  0
 15 17  1  0     0  0
 15  7  1  0     0  0
 12 10  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
  8 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 22 38  2  0     0  0
 19 39  2  0     0  0
M  END
> <LM_ID>
LMGP20070012

> <COMMON_NAME>
PKHdiA-PA

> <SYSTEMATIC_NAME>
1-hexadecanoyl-2-(4-oxo-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphate

> <FORMULA>
C26H45O11P

> <MASS>
564.27

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphates [GP2007]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-palmitoyl-2-(4-oxo-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphate

> <INCHI_KEY>
UPUOTNABCHAZDY-YJCCFKNTSA-N

> <INCHI>
InChI=1S/C26H45O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(30)35-20-23(21-36-38(32,33)34)37-26(31)19-17-22(27)16-18-24(28)29/h16,18,23H,2-15,17,19-21H2,1H3,(H,28,29)(H2,32,33,34)/b18-16+/t23-/m1/s1

> <SMILES>
[C@](COP(=O)(O)O)([H])(OC(CCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185169

> <ABBREVIATION>
PA 23:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812501

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphates [GP10]

> <ALT_SUB_CLASSES>
Diacylglycerophosphates [GP1001]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
18285328

$$$$