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Showing metabocard for PE(DiMe(9,3)/MonoMe(11,5)) (HMDB0061504)

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enzymes (43) Show 43 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2014-04-11 22:01:05 UTC
Update Date2022-11-30 19:11:53 UTC
HMDB IDHMDB0061504
Secondary Accession Numbers
  • HMDB61504
Metabolite Identification
Common NamePE(DiMe(9,3)/MonoMe(11,5))
DescriptionPE(DiMe(9,3)/MonoMe(11,5)) is a phosphatidylethanolamine (PE or GPEtn). It is a glycerophospholipid in which a phosphorylethanolamine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphoethanolamines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PE(DiMe(9,3)/MonoMe(11,5)), in particular, consists of one chain of 10,13-epoxy-11-methylhexadeca-10,12-dienoic acid at the C-1 position and one chain of 12,15-epoxy-13-methyleicosa-12,14-dienoic at the C-2 position. The 10,13-epoxy-11-methylhexadeca-10,12-dienoic acid moiety is derived from fish oil, while the 12,15-epoxy-13-methyleicosa-12,14-dienoic moiety is derived from fish oil. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PEs are neutral zwitterions at physiological pH. They mostly have palmitic or stearic acid on carbon 1 and a long chain unsaturated fatty acid (e.g. 18:2, 20:4 and 22:6) on carbon 2. PE synthesis can occur via two pathways. The first requires that ethanolamine be activated by phosphorylation and then coupled to CDP. The ethanolamine is then transferred from CDP-ethanolamine to phosphatidic acid to yield PE. The second involves the decarboxylation of PS.
Structure
Data?1563866195
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

1-10,13-epoxy-11-methylhexadeca-10,12-dienoyl-2-12,15-epoxy-13-methyleicosa-12,14-dienoyl-sn-glycero-3-phosphoethanolamine
  Mrv1652303032023492D          

 57 58  0  0  1  0            999 V2000
    6.3452  -19.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6307  -19.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162  -19.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018  -19.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018  -18.4769    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768  -18.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0268  -18.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018  -17.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162  -17.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162  -16.4144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2018  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873  -16.4144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728  -15.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1306  -17.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5506  -17.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0890  -17.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6307  -16.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4886  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9175  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6320  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3465  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0609  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7754  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4899  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2044  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2906  -15.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6775  -14.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0976  -15.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4331  -14.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5101  -15.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9580  -16.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3305  -15.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6661  -16.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4866  -16.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D MOL for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

HMDB0061504
     RDKit          3D
PE(DiMe(9,3)/MonoMe(11,5))
132133  0  0  0  0  0  0  0  0999 V2000
   14.8336    1.7277   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1303    0.5002   -1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0634   -0.0310   -2.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -0.5267   -1.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1112    0.5140   -1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8246   -0.0712   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3946   -1.3317   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1944   -1.4503   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252   -2.7180   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9523   -0.2981    0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9069    0.2385    1.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7897    0.9821    0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487    0.6426    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5827   -0.2662    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428   -1.7024    0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0406   -2.5421   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327   -3.0439   -1.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0398   -2.1651   -1.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455   -1.7623   -1.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9614   -0.7685   -1.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0153   -0.4414   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9204   -1.1596   -0.1218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460    0.7698    0.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4665    1.2933    1.2256 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0549    2.6485    1.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0014    2.7134    0.0856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657    2.5430   -1.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7564    2.3077   -1.7652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1272    2.6458   -2.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0099    1.5171   -1.5669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3388    1.4340   -2.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1822    0.3132   -1.6337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3839    0.5384   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0798    1.8227    0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4683    1.9173   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3712    0.8458    0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7125    0.9887   -0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2477    0.2344   -1.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4409    0.6472   -1.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3836    0.0806   -2.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4960   -0.6983   -2.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9953   -1.8477   -1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7390    1.7575   -0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9769    2.5793   -0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6187    1.9656   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4703    3.0495    0.8369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853    1.2011    2.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755   -0.1362    2.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702   -0.3854    4.1649 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.6216    0.9106    4.9831 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1297   -0.9138    3.9003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7684   -1.5509    5.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504   -2.5103    4.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5627   -3.5363    5.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4010   -4.1979    6.0672 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9934    0.4968    0.2278 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7852    1.5274    0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7206    2.4598   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9808    2.3268   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4967   -0.2940   -0.9585 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0387    0.7448   -2.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7886    0.8263   -3.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4615   -0.7975   -3.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1215   -1.4068   -1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1865   -0.9629   -2.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8621    1.3669   -1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6932    0.7290   -0.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8313   -2.0961   -1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6973   -2.7572    0.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9569   -2.8652   -1.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1723   -3.5635    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5463   -0.5916    2.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239    0.9188    2.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2699    1.9638    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3510    1.5381    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0946    1.5971   -0.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0264    0.2847   -0.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5993    0.0157    0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4762    0.1056    1.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6900   -1.8665    1.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519   -2.1126    1.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6369   -3.4806   -0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -2.0513   -1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5047   -3.9133   -0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5607   -3.6794   -2.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5419   -1.2779   -2.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586   -2.7393   -2.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2063   -1.5123   -0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2806   -2.7232   -0.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3455   -1.2788   -2.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169    0.1275   -2.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3025    0.5402    1.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    3.3809    0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5291    2.9357    2.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6528    3.5835   -1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8196    2.4479   -3.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0377    1.6370   -0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3925    0.5868   -1.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8336    2.4016   -2.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1751    1.1375   -3.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1488    0.1942   -2.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6108   -0.6214   -1.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0278   -0.3010    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4482    0.4967    0.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5126    2.7181   -0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1750    1.9026    1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8731    2.9149   -0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4906    1.8242   -1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0065   -0.1573   -0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4446    0.9209    1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8465   -0.5467   -3.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8782    0.9162   -3.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1627   -1.0768   -2.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1231   -0.0516   -1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7868   -2.6430   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0782   -2.3030   -1.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8489   -1.5060   -0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7308    3.6525   -0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5014    2.3762    0.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6145    2.2517   -1.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2016    3.9913    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6701    2.7984    1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4295    3.1379    1.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971    1.8024    2.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2392    1.5956    3.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971   -1.8914    3.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5815   -2.0392    3.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9028   -3.0128    3.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -3.0515    5.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0050   -4.3064    4.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -5.1819    6.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3384   -3.7879    7.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 39 43  2  0
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 43 45  1  0
 45 46  1  0
 24 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 49 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 10 56  1  0
 56  6  1  0
 45 37  2  0
  1 57  1  0
  1 58  1  0
  1 59  1  0
  2 60  1  0
  2 61  1  0
  3 62  1  0
  3 63  1  0
  4 64  1  0
  4 65  1  0
  5 66  1  0
  5 67  1  0
  7 68  1  0
  9 69  1  0
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 11 72  1  0
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 18 86  1  0
 18 87  1  0
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 19 89  1  0
 20 90  1  0
 20 91  1  0
 24 92  1  1
 25 93  1  0
 25 94  1  0
 29 95  1  0
 29 96  1  0
 30 97  1  0
 30 98  1  0
 31 99  1  0
 31100  1  0
 32101  1  0
 32102  1  0
 33103  1  0
 33104  1  0
 34105  1  0
 34106  1  0
 35107  1  0
 35108  1  0
 36109  1  0
 36110  1  0
 40111  1  0
 40112  1  0
 41113  1  0
 41114  1  0
 42115  1  0
 42116  1  0
 42117  1  0
 44118  1  0
 44119  1  0
 44120  1  0
 46121  1  0
 46122  1  0
 46123  1  0
 47124  1  0
 47125  1  0
 51126  1  0
 53127  1  0
 53128  1  0
 54129  1  0
 54130  1  0
 55131  1  0
 55132  1  0
M  END
Download

3D SDF for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

1-10,13-epoxy-11-methylhexadeca-10,12-dienoyl-2-12,15-epoxy-13-methyleicosa-12,14-dienoyl-sn-glycero-3-phosphoethanolamine
  Mrv1652303032023492D          

 57 58  0  0  1  0            999 V2000
    6.3452  -19.7144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6307  -19.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162  -19.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018  -19.3019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018  -18.4769    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.3768  -18.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0268  -18.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018  -17.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162  -17.2394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162  -16.4144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2018  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873  -16.4144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728  -15.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0584  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0851  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7995  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5140  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2285  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9429  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6574  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7436  -17.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1306  -17.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5506  -17.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8862  -18.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9631  -16.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111  -16.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7836  -16.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2685  -17.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0890  -17.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6307  -16.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3452  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3452  -17.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0597  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7741  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4886  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2031  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9175  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6320  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3465  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0609  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7754  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4899  -16.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2044  -16.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2906  -15.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6775  -14.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0976  -15.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4331  -14.2563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5101  -15.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9580  -16.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3305  -15.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6661  -16.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4866  -16.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8221  -17.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6426  -17.4905    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  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  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  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 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
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  2  0  0  0  0
 51 52  1  0  0  0  0
 46 52  1  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0061504

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-11-9-10-12-18-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-17-14-13-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1

> <INCHI_KEY>
PFKDWIRBJLFCOG-LDLOPFEMSA-N

> <FORMULA>
C44H76NO10P

> <MOLECULAR_WEIGHT>
810.0487

> <EXACT_MASS>
809.520684169

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
132

> <JCHEM_AVERAGE_POLARIZABILITY>
96.77824071930823

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-aminoethoxy)[(2R)-3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid

> <ALOGPS_LOGP>
7.06

> <JCHEM_LOGP>
10.844221284393807

> <ALOGPS_LOGS>
-5.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8688283988772953

> <JCHEM_PKA_STRONGEST_BASIC>
9.999929336362486

> <JCHEM_POLAR_SURFACE_AREA>
160.66000000000003

> <JCHEM_REFRACTIVITY>
223.14870000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
37

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.78e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-aminoethoxy((2R)-3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

HMDB0061504
     RDKit          3D
PE(DiMe(9,3)/MonoMe(11,5))
132133  0  0  0  0  0  0  0  0999 V2000
   14.8336    1.7277   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1303    0.5002   -1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0634   -0.0310   -2.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8292   -0.5267   -1.9131 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1112    0.5140   -1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8246   -0.0712   -0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3946   -1.3317   -0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1944   -1.4503   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4252   -2.7180   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9523   -0.2981    0.5541 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9069    0.2385    1.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7897    0.9821    0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487    0.6426    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5827   -0.2662    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8428   -1.7024    0.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0406   -2.5421   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327   -3.0439   -1.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0398   -2.1651   -1.9423 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

PDB for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

HEADER    PROTEIN                                 03-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1-10,13-epoxy-11-methylhexadeca-10,12-dienoyl-2-12
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAR-20         0                                  
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HETATM   49  C   UNK     0      28.182 -28.018   0.000  0.00  0.00           C+0
HETATM   50  H   UNK     0      28.808 -26.612   0.000  0.00  0.00           H+0
HETATM   51  C   UNK     0      28.952 -29.352   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      27.922 -30.497   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      30.484 -29.513   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      31.110 -30.920   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      32.642 -31.081   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      33.268 -32.488   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      34.800 -32.649   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   33                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   29                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28   23                                                       
CONECT   30   28   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   10   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   52                                                  
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51   46                                                       
CONECT   53   51   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56                                                            
MASTER        0    0    0    0    0    0    0    0   57    0  116    0
END
Download

3D PDB for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

COMPND    HMDB0061504
HETATM    1  C1  UNL     1      14.834   1.728  -0.888  1.00  0.00           C  
HETATM    2  C2  UNL     1      15.130   0.500  -1.684  1.00  0.00           C  
HETATM    3  C3  UNL     1      14.063  -0.031  -2.559  1.00  0.00           C  
HETATM    4  C4  UNL     1      12.829  -0.527  -1.913  1.00  0.00           C  
HETATM    5  C5  UNL     1      12.111   0.514  -1.129  1.00  0.00           C  
HETATM    6  C6  UNL     1      10.825  -0.071  -0.556  1.00  0.00           C  
HETATM    7  C7  UNL     1      10.395  -1.332  -0.826  1.00  0.00           C  
HETATM    8  C8  UNL     1       9.194  -1.450  -0.101  1.00  0.00           C  
HETATM    9  C9  UNL     1       8.425  -2.718  -0.070  1.00  0.00           C  
HETATM   10  C10 UNL     1       8.952  -0.298   0.554  1.00  0.00           C  
HETATM   11  C11 UNL     1       7.907   0.238   1.453  1.00  0.00           C  
HETATM   12  C12 UNL     1       6.790   0.982   0.935  1.00  0.00           C  
HETATM   13  C13 UNL     1       5.649   0.643   0.120  1.00  0.00           C  
HETATM   14  C14 UNL     1       4.583  -0.266   0.641  1.00  0.00           C  
HETATM   15  C15 UNL     1       4.843  -1.702   0.794  1.00  0.00           C  
HETATM   16  C16 UNL     1       5.041  -2.542  -0.381  1.00  0.00           C  
HETATM   17  C17 UNL     1       4.033  -3.044  -1.308  1.00  0.00           C  
HETATM   18  C18 UNL     1       3.040  -2.165  -1.942  1.00  0.00           C  
HETATM   19  C19 UNL     1       1.945  -1.762  -1.032  1.00  0.00           C  
HETATM   20  C20 UNL     1       0.961  -0.769  -1.621  1.00  0.00           C  
HETATM   21  C21 UNL     1       0.015  -0.441  -0.491  1.00  0.00           C  
HETATM   22  O1  UNL     1      -0.920  -1.160  -0.122  1.00  0.00           O  
HETATM   23  O2  UNL     1       0.246   0.770   0.164  1.00  0.00           O  
HETATM   24  C22 UNL     1      -0.466   1.293   1.226  1.00  0.00           C  
HETATM   25  C23 UNL     1      -1.055   2.649   1.084  1.00  0.00           C  
HETATM   26  O3  UNL     1      -2.001   2.713   0.086  1.00  0.00           O  
HETATM   27  C24 UNL     1      -1.866   2.543  -1.257  1.00  0.00           C  
HETATM   28  O4  UNL     1      -0.756   2.308  -1.765  1.00  0.00           O  
HETATM   29  C25 UNL     1      -3.127   2.646  -2.107  1.00  0.00           C  
HETATM   30  C26 UNL     1      -4.010   1.517  -1.567  1.00  0.00           C  
HETATM   31  C27 UNL     1      -5.339   1.434  -2.231  1.00  0.00           C  
HETATM   32  C28 UNL     1      -6.182   0.313  -1.634  1.00  0.00           C  
HETATM   33  C29 UNL     1      -6.384   0.538  -0.149  1.00  0.00           C  
HETATM   34  C30 UNL     1      -7.080   1.823   0.149  1.00  0.00           C  
HETATM   35  C31 UNL     1      -8.468   1.917  -0.434  1.00  0.00           C  
HETATM   36  C32 UNL     1      -9.371   0.846   0.126  1.00  0.00           C  
HETATM   37  C33 UNL     1     -10.712   0.989  -0.489  1.00  0.00           C  
HETATM   38  O5  UNL     1     -11.248   0.234  -1.421  1.00  0.00           O  
HETATM   39  C34 UNL     1     -12.441   0.647  -1.727  1.00  0.00           C  
HETATM   40  C35 UNL     1     -13.384   0.081  -2.723  1.00  0.00           C  
HETATM   41  C36 UNL     1     -14.496  -0.698  -2.051  1.00  0.00           C  
HETATM   42  C37 UNL     1     -13.995  -1.848  -1.225  1.00  0.00           C  
HETATM   43  C38 UNL     1     -12.739   1.757  -0.951  1.00  0.00           C  
HETATM   44  C39 UNL     1     -13.977   2.579  -0.936  1.00  0.00           C  
HETATM   45  C40 UNL     1     -11.619   1.966  -0.160  1.00  0.00           C  
HETATM   46  C41 UNL     1     -11.470   3.050   0.837  1.00  0.00           C  
HETATM   47  C42 UNL     1       0.385   1.201   2.516  1.00  0.00           C  
HETATM   48  O6  UNL     1       0.675  -0.136   2.772  1.00  0.00           O  
HETATM   49  P1  UNL     1       1.570  -0.385   4.165  1.00  0.00           P  
HETATM   50  O7  UNL     1       1.622   0.911   4.983  1.00  0.00           O  
HETATM   51  O8  UNL     1       3.130  -0.914   3.900  1.00  0.00           O  
HETATM   52  O9  UNL     1       0.768  -1.551   5.117  1.00  0.00           O  
HETATM   53  C43 UNL     1       0.150  -2.510   4.314  1.00  0.00           C  
HETATM   54  C44 UNL     1      -0.563  -3.536   5.187  1.00  0.00           C  
HETATM   55  N1  UNL     1       0.401  -4.198   6.067  1.00  0.00           N  
HETATM   56  O10 UNL     1       9.993   0.497   0.228  1.00  0.00           O  
HETATM   57  H1  UNL     1      14.785   1.527   0.209  1.00  0.00           H  
HETATM   58  H2  UNL     1      15.721   2.460  -0.957  1.00  0.00           H  
HETATM   59  H3  UNL     1      13.981   2.327  -1.255  1.00  0.00           H  
HETATM   60  H4  UNL     1      15.497  -0.294  -0.958  1.00  0.00           H  
HETATM   61  H5  UNL     1      16.039   0.745  -2.315  1.00  0.00           H  
HETATM   62  H6  UNL     1      13.789   0.826  -3.262  1.00  0.00           H  
HETATM   63  H7  UNL     1      14.461  -0.797  -3.288  1.00  0.00           H  
HETATM   64  H8  UNL     1      13.122  -1.407  -1.272  1.00  0.00           H  
HETATM   65  H9  UNL     1      12.186  -0.963  -2.721  1.00  0.00           H  
HETATM   66  H10 UNL     1      11.862   1.367  -1.749  1.00  0.00           H  
HETATM   67  H11 UNL     1      12.693   0.729  -0.205  1.00  0.00           H  
HETATM   68  H12 UNL     1      10.831  -2.096  -1.443  1.00  0.00           H  
HETATM   69  H13 UNL     1       7.697  -2.757   0.729  1.00  0.00           H  
HETATM   70  H14 UNL     1       7.957  -2.865  -1.055  1.00  0.00           H  
HETATM   71  H15 UNL     1       9.172  -3.564   0.002  1.00  0.00           H  
HETATM   72  H16 UNL     1       7.546  -0.592   2.142  1.00  0.00           H  
HETATM   73  H17 UNL     1       8.424   0.919   2.240  1.00  0.00           H  
HETATM   74  H18 UNL     1       7.270   1.964   0.429  1.00  0.00           H  
HETATM   75  H19 UNL     1       6.351   1.538   1.889  1.00  0.00           H  
HETATM   76  H20 UNL     1       5.095   1.597  -0.184  1.00  0.00           H  
HETATM   77  H21 UNL     1       6.026   0.285  -0.886  1.00  0.00           H  
HETATM   78  H22 UNL     1       3.599   0.016   0.256  1.00  0.00           H  
HETATM   79  H23 UNL     1       4.476   0.106   1.757  1.00  0.00           H  
HETATM   80  H24 UNL     1       5.690  -1.866   1.516  1.00  0.00           H  
HETATM   81  H25 UNL     1       3.952  -2.113   1.397  1.00  0.00           H  
HETATM   82  H26 UNL     1       5.637  -3.481  -0.056  1.00  0.00           H  
HETATM   83  H27 UNL     1       5.834  -2.051  -1.077  1.00  0.00           H  
HETATM   84  H28 UNL     1       3.505  -3.913  -0.764  1.00  0.00           H  
HETATM   85  H29 UNL     1       4.561  -3.679  -2.142  1.00  0.00           H  
HETATM   86  H30 UNL     1       3.542  -1.278  -2.422  1.00  0.00           H  
HETATM   87  H31 UNL     1       2.559  -2.739  -2.802  1.00  0.00           H  
HETATM   88  H32 UNL     1       2.206  -1.512  -0.038  1.00  0.00           H  
HETATM   89  H33 UNL     1       1.281  -2.723  -0.885  1.00  0.00           H  
HETATM   90  H34 UNL     1       0.346  -1.279  -2.387  1.00  0.00           H  
HETATM   91  H35 UNL     1       1.417   0.128  -2.034  1.00  0.00           H  
HETATM   92  H36 UNL     1      -1.302   0.540   1.433  1.00  0.00           H  
HETATM   93  H37 UNL     1      -0.219   3.381   0.865  1.00  0.00           H  
HETATM   94  H38 UNL     1      -1.529   2.936   2.059  1.00  0.00           H  
HETATM   95  H39 UNL     1      -3.653   3.583  -1.954  1.00  0.00           H  
HETATM   96  H40 UNL     1      -2.820   2.448  -3.147  1.00  0.00           H  
HETATM   97  H41 UNL     1      -4.038   1.637  -0.471  1.00  0.00           H  
HETATM   98  H42 UNL     1      -3.392   0.587  -1.750  1.00  0.00           H  
HETATM   99  H43 UNL     1      -5.834   2.402  -2.224  1.00  0.00           H  
HETATM  100  H44 UNL     1      -5.175   1.137  -3.292  1.00  0.00           H  
HETATM  101  H45 UNL     1      -7.149   0.194  -2.146  1.00  0.00           H  
HETATM  102  H46 UNL     1      -5.611  -0.621  -1.760  1.00  0.00           H  
HETATM  103  H47 UNL     1      -7.028  -0.301   0.203  1.00  0.00           H  
HETATM  104  H48 UNL     1      -5.448   0.497   0.417  1.00  0.00           H  
HETATM  105  H49 UNL     1      -6.513   2.718  -0.182  1.00  0.00           H  
HETATM  106  H50 UNL     1      -7.175   1.903   1.253  1.00  0.00           H  
HETATM  107  H51 UNL     1      -8.873   2.915  -0.174  1.00  0.00           H  
HETATM  108  H52 UNL     1      -8.491   1.824  -1.532  1.00  0.00           H  
HETATM  109  H53 UNL     1      -9.007  -0.157  -0.140  1.00  0.00           H  
HETATM  110  H54 UNL     1      -9.445   0.921   1.241  1.00  0.00           H  
HETATM  111  H55 UNL     1     -12.846  -0.547  -3.451  1.00  0.00           H  
HETATM  112  H56 UNL     1     -13.878   0.916  -3.273  1.00  0.00           H  
HETATM  113  H57 UNL     1     -15.163  -1.077  -2.863  1.00  0.00           H  
HETATM  114  H58 UNL     1     -15.123  -0.052  -1.416  1.00  0.00           H  
HETATM  115  H59 UNL     1     -14.787  -2.643  -1.244  1.00  0.00           H  
HETATM  116  H60 UNL     1     -13.078  -2.303  -1.654  1.00  0.00           H  
HETATM  117  H61 UNL     1     -13.849  -1.506  -0.179  1.00  0.00           H  
HETATM  118  H62 UNL     1     -13.731   3.652  -0.971  1.00  0.00           H  
HETATM  119  H63 UNL     1     -14.501   2.376   0.020  1.00  0.00           H  
HETATM  120  H64 UNL     1     -14.615   2.252  -1.798  1.00  0.00           H  
HETATM  121  H65 UNL     1     -11.202   3.991   0.308  1.00  0.00           H  
HETATM  122  H66 UNL     1     -10.670   2.798   1.580  1.00  0.00           H  
HETATM  123  H67 UNL     1     -12.429   3.138   1.395  1.00  0.00           H  
HETATM  124  H68 UNL     1       1.297   1.802   2.430  1.00  0.00           H  
HETATM  125  H69 UNL     1      -0.239   1.596   3.326  1.00  0.00           H  
HETATM  126  H70 UNL     1       3.197  -1.891   3.761  1.00  0.00           H  
HETATM  127  H71 UNL     1      -0.581  -2.039   3.628  1.00  0.00           H  
HETATM  128  H72 UNL     1       0.903  -3.013   3.677  1.00  0.00           H  
HETATM  129  H73 UNL     1      -1.377  -3.051   5.753  1.00  0.00           H  
HETATM  130  H74 UNL     1      -1.005  -4.306   4.528  1.00  0.00           H  
HETATM  131  H75 UNL     1       0.095  -5.182   6.171  1.00  0.00           H  
HETATM  132  H76 UNL     1       0.338  -3.788   7.039  1.00  0.00           H  
CONECT    1    2   57   58   59
CONECT    2    3   60   61
CONECT    3    4   62   63
CONECT    4    5   64   65
CONECT    5    6   66   67
CONECT    6    7    7   56
CONECT    7    8   68
CONECT    8    9   10   10
CONECT    9   69   70   71
CONECT   10   11   56
CONECT   11   12   72   73
CONECT   12   13   74   75
CONECT   13   14   76   77
CONECT   14   15   78   79
CONECT   15   16   80   81
CONECT   16   17   82   83
CONECT   17   18   84   85
CONECT   18   19   86   87
CONECT   19   20   88   89
CONECT   20   21   90   91
CONECT   21   22   22   23
CONECT   23   24
CONECT   24   25   47   92
CONECT   25   26   93   94
CONECT   26   27
CONECT   27   28   28   29
CONECT   29   30   95   96
CONECT   30   31   97   98
CONECT   31   32   99  100
CONECT   32   33  101  102
CONECT   33   34  103  104
CONECT   34   35  105  106
CONECT   35   36  107  108
CONECT   36   37  109  110
CONECT   37   38   45   45
CONECT   38   39
CONECT   39   40   43   43
CONECT   40   41  111  112
CONECT   41   42  113  114
CONECT   42  115  116  117
CONECT   43   44   45
CONECT   44  118  119  120
CONECT   45   46
CONECT   46  121  122  123
CONECT   47   48  124  125
CONECT   48   49
CONECT   49   50   50   51   52
CONECT   51  126
CONECT   52   53
CONECT   53   54  127  128
CONECT   54   55  129  130
CONECT   55  131  132
END
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SMILES for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C
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INCHI for HMDB0061504 (PE(DiMe(9,3)/MonoMe(11,5)))

InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-11-9-10-12-18-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-17-14-13-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
PE(DiMe(9,3)/MonoMe(11,5))SMPDB
Phosphatidylethanolamine(9D3/11M5)SMPDB
Phosphatidylethanolamine(DiMe(9,3)/MonoMe(11,5))SMPDB
PE(9D3/11M5)SMPDB
Chemical FormulaC44H76NO10P
Average Molecular Weight810.0487
Monoisotopic Molecular Weight809.520684169
IUPAC Name(2-aminoethoxy)[(2R)-3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy]phosphinic acid
Traditional Name2-aminoethoxy((2R)-3-{[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyl]oxy}-2-{[11-(3-methyl-5-pentylfuran-2-yl)undecanoyl]oxy}propoxy)phosphinic acid
CAS Registry NumberNot Available
SMILES
[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C
InChI Identifier
InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-11-9-10-12-18-23-29-44(47)54-39(34-52-56(48,49)51-31-30-45)33-50-43(46)28-22-17-14-13-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1
InChI KeyPFKDWIRBJLFCOG-LDLOPFEMSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as phosphatidylethanolamines. These are glycerophosphoetahnolamines in which two fatty acids are bonded to the glycerol moiety through ester linkages.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphoethanolamines
Direct ParentPhosphatidylethanolamines
Alternative Parents
Substituents
  • Diacylglycero-3-phosphoethanolamine
  • Furanoid fatty acid
  • Phosphoethanolamine
  • Fatty acid ester
  • Dialkyl phosphate
  • Dicarboxylic acid or derivatives
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acyl
  • Heteroaromatic compound
  • Furan
  • Carboxylic acid ester
  • Amino acid or derivatives
  • Oxacycle
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Carbonyl group
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Primary amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Health effectOrganoleptic effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0028 g/LALOGPS
logP7.06ALOGPS
logP10.84ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)1.87ChemAxon
pKa (Strongest Basic)10ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area160.66 ŲChemAxon
Rotatable Bond Count37ChemAxon
Refractivity223.15 m³·mol⁻¹ChemAxon
Polarizability96.78 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+285.58731661259
DarkChem[M-H]-277.41931661259
DeepCCS[M+H]+289.35330932474
DeepCCS[M-H]-286.95830932474
DeepCCS[M-2H]-319.87230932474
DeepCCS[M+Na]+295.10530932474
AllCCS[M+H]+270.232859911
AllCCS[M+H-H2O]+270.032859911
AllCCS[M+NH4]+270.332859911
AllCCS[M+Na]+270.332859911
AllCCS[M-H]-264.032859911
AllCCS[M+Na-2H]-271.132859911
AllCCS[M+HCOO]-278.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PE(DiMe(9,3)/MonoMe(11,5))[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C5386.5Standard polar33892256
PE(DiMe(9,3)/MonoMe(11,5))[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C5103.3Standard non polar33892256
PE(DiMe(9,3)/MonoMe(11,5))[H]C1=C(CCCCC)OC(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(O)(=O)OCCN)=C1C5479.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
PE(DiMe(9,3)/MonoMe(11,5)),1TMS,isomer #1CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(OCCN)O[Si](C)(C)C)O15690.7Semi standard non polar33892256
PE(DiMe(9,3)/MonoMe(11,5)),1TMS,isomer #1CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(OCCN)O[Si](C)(C)C)O14714.9Standard non polar33892256
PE(DiMe(9,3)/MonoMe(11,5)),1TMS,isomer #1CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(OCCN)O[Si](C)(C)C)O17813.1Standard polar33892256
PE(DiMe(9,3)/MonoMe(11,5)),1TMS,isomer #2CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(O)OCCN[Si](C)(C)C)O15771.6Semi standard non polar33892256
PE(DiMe(9,3)/MonoMe(11,5)),1TMS,isomer #2CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(O)OCCN[Si](C)(C)C)O14891.1Standard non polar33892256
PE(DiMe(9,3)/MonoMe(11,5)),1TMS,isomer #2CCCCCC1=CC(C)=C(CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C)C(C)=C(CCC)O2)COP(=O)(O)OCCN[Si](C)(C)C)O17526.2Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 10V, Positive-QTOFsplash10-0006-9022100010-1af4304465ea06fca4ac2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 20V, Positive-QTOFsplash10-0006-9222000100-5c92fed1a030c25cae462017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 40V, Positive-QTOFsplash10-0006-9243001000-858385a63b62de8742242017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 10V, Negative-QTOFsplash10-002f-1294300220-7cf02dc1da8b71df3a712017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 20V, Negative-QTOFsplash10-002f-6591100000-6803728408555734542f2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 40V, Negative-QTOFsplash10-01t9-9210000000-fd5cb5ede897f5a95de62017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 10V, Positive-QTOFsplash10-03di-0000001190-285a1ed51bdd3e55efa82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 20V, Positive-QTOFsplash10-02t9-0003339160-bebd2e217b9b023d07d12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 40V, Positive-QTOFsplash10-014i-0003339110-004552d898d39e61eb962021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 10V, Positive-QTOFsplash10-001i-0000001090-cc84df93916bdace23162021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 20V, Positive-QTOFsplash10-001i-0000002290-34c78abd942ca6a9af142021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 40V, Positive-QTOFsplash10-000i-0100301910-f2ec819f75be0fad0b3c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 10V, Negative-QTOFsplash10-0a4i-0011000090-d148091b5a81d65d79312021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 20V, Negative-QTOFsplash10-0a4i-0011000090-d148091b5a81d65d79312021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PE(DiMe(9,3)/MonoMe(11,5)) 40V, Negative-QTOFsplash10-052o-0399330060-d1d018f0aea57f05b7032021-09-23Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Spiteller G: Furan fatty acids: occurrence, synthesis, and reactions. Are furan fatty acids responsible for the cardioprotective effects of a fish diet? Lipids. 2005 Aug;40(8):755-71. [PubMed:16296395 ]
  2. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  3. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  4. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  5. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  6. Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
  7. Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
  8. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
  9. Jean E. Vance (2008). Thematic Review Series: Glycerolipids. Phosphatidylserine and phosphatidylethanolamine in mammalian cells: two metabolically related aminophospholipids. The Journal of Lipid Research, 49, 1377-1387..
  10. The AOCS Lipid Library [Link]

Only showing the first 10 proteins. There are 43 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Calcium-dependent phospholipase A2
General function:
Involved in phospholipase A2 activity
Specific function:
PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. This isozyme hydrolyzes more efficiently L-alpha-1-palmitoyl-2-oleoyl phosphatidylcholine than L-alpha-1-palmitoyl-2-arachidonyl phosphatidylcholine, L-alpha-1-palmitoyl-2-arachidonyl phosphatidylethanolamine, or L-alpha-1-stearoyl-2-arachidonyl phosphatidylinositol. May be involved in the production of lung surfactant, the remodeling or regulation of cardiac muscle.
Gene Name:
PLA2G5
Uniprot ID:
P39877
Molecular weight:
15674.065
Enzyme Details
2. Group IIF secretory phospholipase A2
General function:
Involved in phospholipase A2 activity
Specific function:
PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Hydrolyzes phosphatidylglycerol versus phosphatidylcholine with a 15-fold preference.
Gene Name:
PLA2G2F
Uniprot ID:
Q9BZM2
Molecular weight:
23256.29
Enzyme Details
3. Cytosolic phospholipase A2
General function:
Involved in metabolic process
Specific function:
Selectively hydrolyzes arachidonyl phospholipids in the sn-2 position releasing arachidonic acid. Together with its lysophospholipid activity, it is implicated in the initiation of the inflammatory response.
Gene Name:
PLA2G4A
Uniprot ID:
P47712
Molecular weight:
85210.19
Enzyme Details
4. Phospholipase A2
General function:
Involved in phospholipase A2 activity
Specific function:
PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides.
Gene Name:
PLA2G1B
Uniprot ID:
P04054
Molecular weight:
16359.535
Enzyme Details
5. Group XIIB secretory phospholipase A2-like protein
General function:
Involved in phospholipase A2 activity
Specific function:
Not known; does not seem to have catalytic activity.
Gene Name:
PLA2G12B
Uniprot ID:
Q9BX93
Molecular weight:
Not Available
Enzyme Details
6. Group 10 secretory phospholipase A2
General function:
Involved in phospholipase A2 activity
Specific function:
PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Has a powerful potency for releasing arachidonic acid from cell membrane phospholipids. Prefers phosphatidylethanolamine and phosphatidylcholine liposomes to those of phosphatidylserine.
Gene Name:
PLA2G10
Uniprot ID:
O15496
Molecular weight:
18153.04
Enzyme Details
7. Group IIE secretory phospholipase A2
General function:
Involved in phospholipase A2 activity
Specific function:
PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Has a preference for arachidonic-containing phospholipids.
Gene Name:
PLA2G2E
Uniprot ID:
Q9NZK7
Molecular weight:
15988.525
Enzyme Details
8. 85/88 kDa calcium-independent phospholipase A2
General function:
Involved in metabolic process
Specific function:
Catalyzes the release of fatty acids from phospholipids. It has been implicated in normal phospholipid remodeling, nitric oxide-induced or vasopressin-induced arachidonic acid release and in leukotriene and prostaglandin production. May participate in fas mediated apoptosis and in regulating transmembrane ion flux in glucose-stimulated B-cells. Has a role in cardiolipin (CL) deacylation. Required for both speed and directionality of monocyte MCP1/CCL2-induced chemotaxis through regulation of F-actin polymerization at the pseudopods. Isoform ankyrin-iPLA2-1 and isoform ankyrin-iPLA2-2, which lack the catalytic domain, are probably involved in the negative regulation of iPLA2 activity.
Gene Name:
PLA2G6
Uniprot ID:
O60733
Molecular weight:
84092.635
Enzyme Details
9. Group IID secretory phospholipase A2
General function:
Involved in phospholipase A2 activity
Specific function:
PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. L-alpha-1-palmitoyl-2-linoleoyl phosphatidylethanolamine is more efficiently hydrolyzed than the other phospholipids examined.
Gene Name:
PLA2G2D
Uniprot ID:
Q9UNK4
Molecular weight:
16546.1
Enzyme Details
10. Phospholipase D2
General function:
Involved in protein binding
Specific function:
May have a role in signal-induced cytoskeletal regulation and/or endocytosis (By similarity).
Gene Name:
PLD2
Uniprot ID:
O14939
Molecular weight:
104656.485

Only showing the first 10 proteins. There are 43 proteins in total.

Show all enzymes and transporters