LMGP20060016
  LIPID_MAPS_STRUCTURE_DATABASE

 42 41  0     0  0            999 V2000
   10.4558    1.2058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1650    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5710    1.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6647   -0.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651   -0.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7065    0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8946    0.4720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0352    0.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -0.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7648    0.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6296   -0.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    0.8219    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.6843    0.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4943    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0231   -0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -0.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198   -0.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5913   -0.4652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6512    0.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5227    0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3942    0.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2655    0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.7514    0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.4943    0.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198   -1.9691    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  1     0  0
 14  1  1  6     0  0
 15 23  1  0     0  0
 21 24  1  0     0  0
 24 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
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 34 35  1  0     0  0
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M  END
> <LM_ID>
LMGP20060016

> <COMMON_NAME>
PG-PG

> <SYSTEMATIC_NAME>
1-hexadecanoyl-2-glutaryl-sn-glycero-3-phospho-(1'-sn-glycerol)

> <FORMULA>
C27H51O12P

> <MASS>
598.31

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Oxidized glycerophospholipids [GP20]

> <SUB_CLASS>
Oxidized glycerophosphoglycerols [GP2006]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-palmitoyl-2-glutaryl-sn-glycero-3-phospho-(1'-sn-glycerol)

> <INCHI_KEY>
ORHWXQWRFVXVMR-BJKOFHAPSA-N

> <INCHI>
InChI=1S/C27H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(32)36-21-24(39-27(33)18-15-16-25(30)31)22-38-40(34,35)37-20-23(29)19-28/h23-24,28-29H,2-22H2,1H3,(H,30,31)(H,34,35)/t23-,24+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
PG 21:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812469

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Glycerophospholipids [GP]

> <ALT_MAIN_CLASSES>
Glycerophosphoglycerols [GP04]

> <ALT_SUB_CLASSES>
Diacylglycerophosphoglycerols [GP0401]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
18285328

$$$$