LMGP20010051
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
   24.7001   -6.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8744   -6.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0486   -6.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5259   -6.6872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2228   -6.6872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2300   -7.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3517   -6.2106    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   25.8750   -5.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8284   -7.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1774   -5.7338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0031   -6.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8290   -5.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6547   -6.2106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5932   -7.6771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0560   -9.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0560   -8.2537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0886   -7.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4907   -8.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0886   -9.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8791   -7.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7600   -8.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8791   -9.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7600   -9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6410   -9.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5219   -9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4029   -9.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2839   -9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1649   -9.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0460   -9.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7744   -6.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6410  -10.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7773   -8.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6582   -7.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5392   -8.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4203   -7.6559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3012   -8.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3012   -8.9782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7744  -10.5527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5742   -6.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6547   -7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9810   -5.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  1  1  0     0  0
  5  3  1  0     0  0
  2  6  1  6     0  0
  7  4  1  0     0  0
  8  7  2  0     0  0
  9  7  1  0     0  0
 10  7  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
  2 14  1  1     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 15  1  0     0  0
 16 20  1  6     0  0
 20 21  1  0     0  0
 15 22  1  1     0  0
 22 23  2  0     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
 27 28  1  0     0  0
 28 29  1  0     0  0
 17 30  2  0     0  0
 24 31  1  6     0  0
 21 32  2  0     0  0
 33 32  1  0     0  0
 34 33  1  0     0  0
 35 34  1  0     0  0
 35 36  1  0     0  0
 36 37  2  0     0  0
 19 38  1  6     0  0
 36  6  1  0     0  0
 13 39  1  0     0  0
 13 40  1  0     0  0
 13 41  1  0     0  0
M  CHG  2   9  -1  13   1
M  END
> <LM_ID>
LMGP20010051

> <COMMON_NAME>
PC 0:0/PGE2)

> <SYSTEMATIC_NAME>
2-(9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoyl)-sn-glycero-3-phosphocholine

> <FORMULA>
C28H50NO10P

> <MASS>
591.32

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphocholines [GP2001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PGE2-LPC

> <INCHI_KEY>
QFBMVHPGUOVSGP-QJRTVADPSA-N

> <INCHI>
InChI=1S/C28H50NO10P/c1-5-6-9-12-22(31)15-16-25-24(26(32)19-27(25)33)13-10-7-8-11-14-28(34)39-23(20-30)21-38-40(35,36)37-18-17-29(2,3)4/h7,10,15-16,22-25,27,30-31,33H,5-6,8-9,11-14,17-21H2,1-4H3/b10-7-,16-15+/t22-,23+,24+,25+,27+/m0/s1

> <SMILES>
C(OP(OCC[N+](C)(C)C)([O-])=O)[C@]([H])(OC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCCCC)CO

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137585

> <ABBREVIATION>
LPC 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129626807

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphocholines [GP01]

> <ALT_SUB_CLASSES>
Monoacylglycerophosphocholines [GP0105]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
27642067

$$$$