LMGP20010055
  LIPID_MAPS_STRUCTURE_DATABASE

 39 38  0     0  0            999 V2000
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   -0.4388   -1.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2072   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0916   -0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9760   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8604   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7448   -0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6292   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5136   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3980   -0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2824   -0.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8675    0.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -0.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4284   -0.2762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335    0.9309    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5996    0.4309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7335    1.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7925    0.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4656    0.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3316    0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1976    0.9309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0637    0.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1976    1.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0637    1.4309    0.0000 C   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
M  CHG  2  33  -1  36   1
M  END
> <LM_ID>
LMGP20010055

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

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

> <FORMULA>
C28H50NO8P

> <MASS>
559.33

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphocholines [GP2001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12S-HETE-LPC

> <INCHI_KEY>
GLFHTTFIWUDUDD-LLQMCKOFSA-N

> <INCHI>
InChI=1S/C28H50NO8P/c1-5-6-7-8-13-16-19-26(31)20-17-14-11-9-10-12-15-18-21-28(32)37-27(24-30)25-36-38(33,34)35-23-22-29(2,3)4/h10-14,16-17,20,26-27,30-31H,5-9,15,18-19,21-25H2,1-4H3/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](O)C/C=C\CCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
LPC 20:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120938

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphocholines [GP01]

> <ALT_SUB_CLASSES>
Monoacylglycerophosphocholines [GP0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
32161117

$$$$