LMGP20040018
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0     0  0            999 V2000
   10.6085    1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4457    0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800    0.4853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7147    0.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7147    1.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8114   -0.3802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8108   -0.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1769    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425    0.4853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1854    0.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0510   -0.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167    0.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7823   -0.0355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    0.8355    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.8332    0.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2742    1.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7912   -1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7912   -2.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9257   -0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5068    1.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6085    2.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630    0.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0536   -1.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1814   -0.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909   -1.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0230    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8952    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7676    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3845    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2568    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0015    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8737    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7461    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6184    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4908    0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3630    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1814    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  5  9  1  0     0  0
  2  8  1  6     0  0
  2  7  1  1     0  0
 10  2  1  0     0  0
 11 10  1  0     0  0
 13 12  1  0     0  0
 14 13  1  0     0  0
 15 14  1  0     0  0
 16 12  1  0     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
 19 20  2  0     0  0
 19 21  1  0     0  0
 19  8  1  0     0  0
 16 11  1  0     0  0
 14 22  1  6     0  0
 14  1  1  1     0  0
  1 23  2  0     0  0
  1 24  1  0     0  0
 21 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
  9 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
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 26 42  2  0     0  0
M  END
> <LM_ID>
LMGP20040018

> <COMMON_NAME>
PS-PS

> <SYSTEMATIC_NAME>
1-hexadecanoyl-2-succinyl-sn-glycero-3-phosphoserine

> <FORMULA>
C26H48NO12P

> <MASS>
597.29

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphoserines [GP2004]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-palmitoyl-2-succinyl-sn-glycero-3-phosphoserine

> <INCHI_KEY>
NVHKBSKYGPFWOE-YADHBBJMSA-N

> <INCHI>
InChI=1S/C26H48NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)36-18-21(39-25(31)17-16-23(28)29)19-37-40(34,35)38-20-22(27)26(32)33/h21-22H,2-20,27H2,1H3,(H,28,29)(H,32,33)(H,34,35)/t21-,22+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185793

> <ABBREVIATION>
PS 20:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812399

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphoserines [GP03]

> <ALT_SUB_CLASSES>
Diacylglycerophosphoserines [GP0301]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
18285328

$$$$