LMGP20050005
  LIPID_MAPS_STRUCTURE_DATABASE

 51 51  0     0  0            999 V2000
    2.6366    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8487    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0607    0.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2728    1.8806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0920   -0.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1812   -0.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4248    0.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2127    0.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3623    0.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5328    0.8304    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.1314    0.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5328    1.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157   -1.8772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3280   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2602   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0543   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8484   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6426   -0.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4367   -0.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2309   -0.9661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1033    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8974    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6916    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4857    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2798    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0740    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8680    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6622    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4563    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2504    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0446    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8387    0.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6328    0.5162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4367    0.4036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0543   -1.8806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8250   -0.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250   -0.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8250    1.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -1.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    2.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250    2.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    0.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -1.2071    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
  9  1  1  0     0  0
 10  9  1  0     0  0
 12 11  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
 15 16  2  0     0  0
 15 17  1  0     0  0
 15  7  1  0     0  0
 10 12  1  0     0  0
  1  7  1  6     0  0
  1  6  1  1     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
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  8 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
 37 38  1  0     0  0
 23 39  2  0     0  0
 20 40  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
 46 41  1  0     0  0
 44 51  1  1     0  0
 43 47  1  1     0  0
 41 48  1  1     0  0
 46 49  1  6     0  0
 42 50  1  6     0  0
 45 11  1  1     0  0
M  END
> <LM_ID>
LMGP20050005

> <COMMON_NAME>
PHOOA-PI

> <SYSTEMATIC_NAME>
1-hexadecanoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)

> <FORMULA>
C33H59O15P

> <MASS>
726.36

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphoinositols [GP2005]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-palmitoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)

> <INCHI_KEY>
BZDATZLAQUIUSA-OMHCBSHKSA-N

> <INCHI>
InChI=1S/C33H59O15P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(36)45-22-25(47-27(37)20-15-17-24(35)18-16-21-34)23-46-49(43,44)48-33-31(41)29(39)28(38)30(40)32(33)42/h16,18,21,24-25,28-33,35,38-42H,2-15,17,19-20,22-23H2,1H3,(H,43,44)/b18-16+/t24?,25-,28-,29-,30+,31-,32-,33-/m1/s1

> <SMILES>
[C@]([H])(OC(CCCC(O)/C=C/C(=O)[H])=O)(COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)COC(CCCCCCCCCCCCCCC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
PI 24:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178330832

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphoinositols [GP06]

> <ALT_SUB_CLASSES>
Diacylglycerophosphoinositols [GP0601]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
18285328

$$$$