LMGP10010448
  LIPID_MAPS_STRUCTURE_DATABASE

 52 51  0  0  0  0  0  0  0  0999 V2000
   20.6258    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9083    7.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1906    7.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4732    7.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4732    8.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0406    6.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2111    6.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7557    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3435    7.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0611    7.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8377    7.2016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0822    7.5091    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.7167    6.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0822    8.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4594    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4594    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7419    6.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0183    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2951    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5718    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8486    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1254    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4021    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6789    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9556    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2324    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5092    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7859    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0627    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3394    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6162    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8930    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4465    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0329    7.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3097    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5864    7.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8632    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1400    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167    7.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6935    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9702    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2470    7.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5238    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8005    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0773    7.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3540    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308    7.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9075    7.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1843    7.2188    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
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M  END
> <LM_ID>
LMGP10010448

> <COMMON_NAME>
PA 18:4(6Z,9Z,12Z,15Z)/21:0

> <SYSTEMATIC_NAME>
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-heneicosanoyl-glycero-3-phosphate

> <FORMULA>
C42H75O8P

> <MASS>
738.52

> <CATEGORY>
Glycerophospholipids [GP]

> <MAIN_CLASS>
Glycerophosphates [GP10]

> <SUB_CLASS>
Diacylglycerophosphates [GP1001]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PA(39:4); PA(18:4_21:0)

> <INCHI_KEY>
ZUPCRUMXGINVIG-BDFLFXOYSA-N

> <INCHI>
InChI=1S/C42H75O8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,22,26,28,40H,3-5,7,9-11,13,15-17,19-21,23-25,27,29-39H2,1-2H3,(H2,45,46,47)/b8-6-,14-12-,22-18-,28-26-/t40-/m1/s1

> <SMILES>
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
PA 39:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000024000

> <PUBCHEM_COMPOUND_ID>
52929041

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$