LMGP20070027
  LIPID_MAPS_STRUCTURE_DATABASE

 40 39  0  0  0  0  0  0  0  0999 V2000
   -0.1701    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844    0.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5989    0.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3131    0.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3131    1.5997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2428   -0.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -0.3515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0274    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2588    0.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0274    0.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753    0.6518    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9114    0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753    1.4040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3313   -1.5997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0456   -0.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2059   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9259   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6459   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4859    0.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3659   -0.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7469    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1869    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9069    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6269    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3469    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0669    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7869    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5069    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2269    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9469    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6669    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3869    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1069    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8269    0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5469    0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  1  7  1  6  0  0  0
  1  6  1  1  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15  7  1  0  0  0  0
 12 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <LM_ID>
LMGP20070027

> <COMMON_NAME>
OHOHA-PA

> <SYSTEMATIC_NAME>
1-(9Z-octadecenoyl)-2-(4-hydroxy-7-oxo-5E-heptenoyl)-sn-glycero-3-phosphate

> <FORMULA>
C28H49O10P

> <MASS>
576.31

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphates [GP2007]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YPUMXOJPZSOXNO-OFUPOGHISA-N

> <INCHI>
InChI=1S/C28H49O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(31)36-23-26(24-37-39(33,34)35)38-28(32)21-20-25(30)18-17-22-29/h9-10,17-18,22,25-26,30H,2-8,11-16,19-21,23-24H2,1H3,(H2,33,34,35)/b10-9-,18-17+/t25?,26-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185953

> <ABBREVIATION>
PA 25:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812515

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphates [GP10]

> <ALT_SUB_CLASSES>
Diacylglycerophosphates [GP1001]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
12145296

$$$$