LMGP20010056
  LIPID_MAPS_STRUCTURE_DATABASE

 40 39  0     0  0            999 V2000
   -0.4402   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4402   -1.7789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2141   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9885   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8757   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7629   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6501   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5372   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4244   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3116   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1988   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0859   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9730   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8602   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7474   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6346   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5218   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -17.2961   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1988    0.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985    0.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2702    0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391    0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0078    0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8765    0.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6156   -0.4455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4297   -0.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7452    0.9338    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6141    0.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7452    1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8044    0.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4828    0.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3515    0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    0.9338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    0.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202    1.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    1.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3300    1.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 13 22  1  6     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 25 28  1  1     0  0
 25 29  1  6     0  0
 27 30  1  0     0  0
 30 31  1  0     0  0
 30 32  2  0     0  0
 30 33  1  0     0  0
 31 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 36 38  1  0     0  0
 36 39  1  0     0  0
  1 29  1  0     0  0
 22 40  1  0     0  0
M  CHG  2  33  -1  36   1
M  END
> <LM_ID>
LMGP20010056

> <COMMON_NAME>
PC 0:0/20:4;O2)

> <SYSTEMATIC_NAME>
2-(12S-hydroperoxy-5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine

> <FORMULA>
C28H50NO9P

> <MASS>
575.32

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphocholines [GP2001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12S-HpETE-LPC; 12-HpETE-LPC

> <INCHI_KEY>
AOZZZHHDWMLKEX-LLQMCKOFSA-N

> <INCHI>
InChI=1S/C28H50NO9P/c1-5-6-7-8-13-16-19-26(38-32)20-17-14-11-9-10-12-15-18-21-28(31)37-27(24-30)25-36-39(33,34)35-23-22-29(2,3)4/h10-14,16-17,20,26-27,30H,5-9,15,18-19,21-25H2,1-4H3,(H-,32,33,34)/b12-10-,14-11-,16-13-,20-17+/t26-,27+/m0/s1

> <SMILES>
C(O[C@@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)CO)(CCC/C=C\C/C=C\C=C\[C@@H](OO)C/C=C\CCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
LPC 20:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120940

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphocholines [GP01]

> <ALT_SUB_CLASSES>
Monoacylglycerophosphocholines [GP0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
32161117

$$$$