LMGP20020032
  LIPID_MAPS_STRUCTURE_DATABASE

 38 37  0     0  0            999 V2000
    4.5124    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8148    0.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    1.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2406   -0.5958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7843   -0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1178    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3613    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2100    0.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3111    0.4701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1599   -0.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0087    0.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8574   -0.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4176    0.8338    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.9853    0.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4176    1.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8951   -1.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0466   -0.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1916   -1.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362   -0.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190   -1.0974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2626    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5928    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3035    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1590    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8697    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7251    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5805    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4358    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2912    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1467    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0021    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8574    0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362    0.3786    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
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 11  1  0     0  0
 15 16  1  0     0  0
 15 17  2  0     0  0
 18 19  2  0     0  0
 18 20  1  0     0  0
 18  7  1  0     0  0
 15 10  1  0     0  0
 20 21  1  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
M  END
> <LM_ID>
LMGP20020032

> <COMMON_NAME>
POB-PE

> <SYSTEMATIC_NAME>
1-hexadecanoyl-2-(4-oxobutryl)-sn-glycero-phosphoethanolamine

> <FORMULA>
C25H48NO9P

> <MASS>
537.31

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphoethanolamines [GP2002]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-palmitoyl-2-(4-oxobutryl)-sn-glycero-phosphoethanolamine

> <INCHI_KEY>
QYVWBNOJLAKOKN-HSZRJFAPSA-N

> <INCHI>
InChI=1S/C25H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(28)32-21-23(35-25(29)17-15-19-27)22-34-36(30,31)33-20-18-26/h19,23H,2-18,20-22,26H2,1H3,(H,30,31)/t23-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
183012

> <ABBREVIATION>
PE 20:1;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812362

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphoethanolamines [GP02]

> <ALT_SUB_CLASSES>
Diacylglycerophosphoethanolamines [GP0201]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
18285328

$$$$