Hmdb loader

Showing metabocard for PC(36:2) (HMDB0000593)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (77)transporters (1) Show 78 proteinsXML
enzymes (77)transporters (1) Show 78 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-07-07 20:53:58 UTC
HMDB IDHMDB0000593
Secondary Accession Numbers
  • HMDB0008104
  • HMDB00593
  • HMDB0062690
  • HMDB08104
  • HMDB62690
Metabolite Identification
Common NamePC(36:2)
DescriptionPC(18:1(9Z)/18:1(9Z)) is a phosphatidylcholine (PC or GPCho). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphocholines 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. PC(18:1(9Z)/18:1(9Z)), in particular, consists of two chains of oleic acid at the C-1 and C-2 positions. The oleic acid moieties are derived from vegetable oils, especially olive and canola 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. Dioleoylphosphatidylcholine is found in human platelets and red blood cells, in mitochondria from skeletal muscle, lung, umbilical artery and vein endothelial cells (PMID: 15351277 , 7138900 , 2351875 , 4046747 , 2755318 ).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. PCs can be synthesized via three different routes. In one route, choline is activated first by phosphorylation and then by coupling to CDP prior to attachment to phosphatidic acid. PCs can also synthesized by the addition of choline to CDP-activated 1,2-diacylglycerol. A third route to PC synthesis involves the conversion of either PS or PE to PC.
Structure
Data?1582752142
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000593 (PC(36:2))

PC(18:1(9Z)/18:1(9Z))
  Mrv1652303192020092D          

 55 54  0  0  0  0            999 V2000
   -3.8021    0.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    0.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2447    0.7720    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571    1.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1679    0.0575    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0969    0.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824    0.3590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6679    0.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9699   -0.3555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7950   -0.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    1.1846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844    0.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8988    1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6132    0.7721    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2007    0.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744    1.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3277    0.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5121    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5121    1.5410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2263    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9404    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6545    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3686    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0827    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7969    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5110    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2251    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0501    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7642    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.6207    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -16.0490    0.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7631    0.7695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5095   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9378   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6519   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3660   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0801   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7943   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5084   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2225   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0475   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7616   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4758   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1899   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.6181   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3322   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0464   -0.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7605   -0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  7  9  1  1  0  0  0
  6  1  1  0  0  0  0
  2  8  1  0  0  0  0
  7 10  1  6  0  0  0
  1 18  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 11  3  1  0  0  0  0
 18 19  2  0  0  0  0
 18 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  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  2  0  0  0  0
 37 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
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
M  CHG  2   5  -1  14   1
M  END
Download

3D MOL for HMDB0000593 (PC(36:2))

HMDB0000593
     RDKit          3D
PC(18:1(9Z)/18:1(9Z))
138137  0  0  0  0  0  0  0  0999 V2000
   -1.6352   -8.0126   -6.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1090   -8.4136   -5.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286   -8.0182   -5.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -6.4674   -5.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7409   -5.9693   -5.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -4.5439   -5.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231   -3.4795   -4.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441   -3.2150   -4.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -2.0752   -3.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980   -2.1056   -2.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002   -3.3398   -2.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5072   -3.1970   -2.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0142   -2.0701   -1.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7295   -2.2611   -0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2496   -1.0861    0.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5986    0.2068    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0932    1.3942    0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8499    1.2408    2.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8071    0.9013    3.0691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5949    1.4542    2.9208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725    1.2836    4.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0657    1.4851    4.7725 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0381    1.2358    6.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4967   -0.0737    6.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5258   -0.5392    8.0574 P   0  0  0  0  0  5  0  0  0  0  0  0
   -2.7258   -1.4569    8.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352    0.7865    9.0807 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.1537   -1.4451    8.4661 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229   -1.8654    7.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7335   -2.6616    7.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5010   -3.1414    6.6371 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.0093   -4.3654    6.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8857   -3.3617    7.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5397   -2.1495    5.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    2.7729    4.4335 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5063    3.0099    3.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1209    1.9349    3.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0878    4.2682    3.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2604    5.4917    3.4458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253    5.4730    2.6859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7487    5.3414    1.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0550    5.3443    0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9954    5.2148   -1.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890    6.3391   -1.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2182    6.1655   -3.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969    6.0224   -3.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    6.0021   -3.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    4.7009   -4.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2595    4.5455   -3.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717    4.5633   -2.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6583    3.6073   -1.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    3.3731   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1911    2.9058   -1.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    1.6265   -2.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2273   -8.8286   -7.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546   -7.1614   -6.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8786   -7.6965   -7.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140   -7.9548   -4.6427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1950   -9.5263   -5.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6282   -8.3003   -4.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0058   -8.3925   -6.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0405   -6.2419   -6.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411   -6.0977   -4.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0007   -6.2017   -4.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -6.6278   -5.7896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1944   -4.4316   -5.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313   -4.3283   -6.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6166   -3.5757   -3.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442   -2.4788   -4.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7319   -4.0225   -4.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1534   -2.7472   -5.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -1.1043   -4.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5423   -1.2036   -2.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5902   -4.1918   -3.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7985   -3.5927   -1.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9501   -4.1716   -2.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7708   -2.9386   -3.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6694   -1.1432   -2.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1375   -2.0874   -1.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2697   -3.1582    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6352   -2.3157   -0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1073   -1.2784    1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3577   -0.9966    0.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7311    0.4128   -0.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900    0.1687    0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1821    1.5068    0.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6316    2.3368    0.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746    0.2829    4.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1366    2.0872    4.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4253    0.6839    4.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634    1.8992    6.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302    1.2766    6.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502   -0.9511    6.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1374   -2.4647    6.6898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108   -3.5054    8.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863   -1.9936    8.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  27  -1  31   1
M  END
Download

3D SDF for HMDB0000593 (PC(36:2))

PC(18:1(9Z)/18:1(9Z))
  Mrv1652303192020092D          

 55 54  0  0  0  0            999 V2000
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    0.1679    0.0575    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0969    0.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3824    0.3590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
M  CHG  2   5  -1  14   1
M  END
> <DATABASE_ID>
HMDB0000593

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1

> <INCHI_KEY>
SNKAWJBJQDLSFF-NVKMUCNASA-N

> <FORMULA>
C44H84NO8P

> <MOLECULAR_WEIGHT>
786.1134

> <EXACT_MASS>
785.593455181

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
138

> <JCHEM_AVERAGE_POLARIZABILITY>
96.97129412589246

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-{[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

> <ALOGPS_LOGP>
5.78

> <JCHEM_LOGP>
9.168227725861586

> <ALOGPS_LOGS>
-7.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8550572064469137

> <JCHEM_PKA_STRONGEST_BASIC>
-6.744159309169755

> <JCHEM_POLAR_SURFACE_AREA>
111.19

> <JCHEM_REFRACTIVITY>
236.50230000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.22e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-{[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000593 (PC(36:2))

HMDB0000593
     RDKit          3D
PC(18:1(9Z)/18:1(9Z))
138137  0  0  0  0  0  0  0  0999 V2000
   -1.6352   -8.0126   -6.7921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1090   -8.4136   -5.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3286   -8.0182   -5.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -6.4674   -5.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7409   -5.9693   -5.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -4.5439   -5.4093 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4231   -3.4795   -4.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441   -3.2150   -4.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -2.0752   -3.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980   -2.1056   -2.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002   -3.3398   -2.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  27  -1  31   1
M  END
Download

PDB for HMDB0000593 (PC(36:2))

HEADER    PROTEIN                                 19-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: PC(18:1(9Z)/18:1(9Z))                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-MAR-20         0                                  
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HETATM   45  C   UNK     0     -15.882  -0.662   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     -17.215  -1.434   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -18.755  -1.434   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -20.088  -0.662   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0     -21.421  -1.434   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0     -22.754  -0.662   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0     -24.087  -1.434   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0     -25.420  -0.662   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0     -26.754  -1.434   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0     -28.087  -0.662   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0     -29.420  -1.434   0.000  0.00  0.00           C+0
CONECT    1    6   18                                                       
CONECT    2    3    8                                                       
CONECT    3    2    4    5   11                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    7    1                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7    2                                                       
CONECT    9    7                                                            
CONECT   10    7   37                                                       
CONECT   11   12    3                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14                                                            
CONECT   18    1   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   10   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   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                                                       
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54                                                            
MASTER        0    0    0    0    0    0    0    0   55    0  108    0
END
Download

3D PDB for HMDB0000593 (PC(36:2))

COMPND    HMDB0000593
HETATM    1  C1  UNL     1      -1.635  -8.013  -6.792  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.109  -8.414  -5.438  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.329  -8.018  -5.241  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.361  -6.467  -5.389  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.741  -5.969  -5.217  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.041  -4.544  -5.409  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.423  -3.479  -4.627  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.044  -3.215  -4.742  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.450  -2.075  -3.860  1.00  0.00           C  
HETATM   10  C10 UNL     1      -1.298  -2.106  -2.878  1.00  0.00           C  
HETATM   11  C11 UNL     1      -2.000  -3.340  -2.491  1.00  0.00           C  
HETATM   12  C12 UNL     1      -3.507  -3.197  -2.613  1.00  0.00           C  
HETATM   13  C13 UNL     1      -4.014  -2.070  -1.738  1.00  0.00           C  
HETATM   14  C14 UNL     1      -3.729  -2.261  -0.296  1.00  0.00           C  
HETATM   15  C15 UNL     1      -4.250  -1.086   0.495  1.00  0.00           C  
HETATM   16  C16 UNL     1      -3.599   0.207   0.088  1.00  0.00           C  
HETATM   17  C17 UNL     1      -4.093   1.394   0.889  1.00  0.00           C  
HETATM   18  C18 UNL     1      -3.850   1.241   2.328  1.00  0.00           C  
HETATM   19  O1  UNL     1      -4.807   0.901   3.069  1.00  0.00           O  
HETATM   20  O2  UNL     1      -2.595   1.454   2.921  1.00  0.00           O  
HETATM   21  C19 UNL     1      -2.472   1.284   4.320  1.00  0.00           C  
HETATM   22  C20 UNL     1      -1.066   1.485   4.772  1.00  0.00           C  
HETATM   23  C21 UNL     1      -1.038   1.236   6.271  1.00  0.00           C  
HETATM   24  O3  UNL     1      -1.497  -0.074   6.438  1.00  0.00           O  
HETATM   25  P1  UNL     1      -1.526  -0.539   8.057  1.00  0.00           P  
HETATM   26  O4  UNL     1      -2.726  -1.457   8.289  1.00  0.00           O  
HETATM   27  O5  UNL     1      -1.735   0.786   9.081  1.00  0.00           O1-
HETATM   28  O6  UNL     1      -0.154  -1.445   8.466  1.00  0.00           O  
HETATM   29  C22 UNL     1       0.523  -1.865   7.314  1.00  0.00           C  
HETATM   30  C23 UNL     1       1.733  -2.662   7.748  1.00  0.00           C  
HETATM   31  N1  UNL     1       2.501  -3.141   6.637  1.00  0.00           N1+
HETATM   32  C24 UNL     1       2.009  -4.365   6.064  1.00  0.00           C  
HETATM   33  C25 UNL     1       3.886  -3.362   7.026  1.00  0.00           C  
HETATM   34  C26 UNL     1       2.540  -2.149   5.549  1.00  0.00           C  
HETATM   35  O7  UNL     1      -0.628   2.773   4.433  1.00  0.00           O  
HETATM   36  C27 UNL     1       0.506   3.010   3.690  1.00  0.00           C  
HETATM   37  O8  UNL     1       1.121   1.935   3.338  1.00  0.00           O  
HETATM   38  C28 UNL     1       1.088   4.268   3.265  1.00  0.00           C  
HETATM   39  C29 UNL     1       0.260   5.492   3.446  1.00  0.00           C  
HETATM   40  C30 UNL     1      -1.025   5.473   2.686  1.00  0.00           C  
HETATM   41  C31 UNL     1      -0.749   5.341   1.187  1.00  0.00           C  
HETATM   42  C32 UNL     1      -2.055   5.344   0.471  1.00  0.00           C  
HETATM   43  C33 UNL     1      -1.995   5.215  -1.014  1.00  0.00           C  
HETATM   44  C34 UNL     1      -1.189   6.339  -1.669  1.00  0.00           C  
HETATM   45  C35 UNL     1      -1.218   6.166  -3.134  1.00  0.00           C  
HETATM   46  C36 UNL     1      -0.197   6.022  -3.935  1.00  0.00           C  
HETATM   47  C37 UNL     1       1.207   6.002  -3.533  1.00  0.00           C  
HETATM   48  C38 UNL     1       1.835   4.701  -4.013  1.00  0.00           C  
HETATM   49  C39 UNL     1       3.260   4.545  -3.725  1.00  0.00           C  
HETATM   50  C40 UNL     1       3.872   4.563  -2.415  1.00  0.00           C  
HETATM   51  C41 UNL     1       3.658   3.607  -1.338  1.00  0.00           C  
HETATM   52  C42 UNL     1       2.426   3.373  -0.605  1.00  0.00           C  
HETATM   53  C43 UNL     1       1.191   2.906  -1.257  1.00  0.00           C  
HETATM   54  C44 UNL     1       1.325   1.627  -2.012  1.00  0.00           C  
HETATM   55  H1  UNL     1      -2.227  -8.829  -7.281  1.00  0.00           H  
HETATM   56  H2  UNL     1      -2.355  -7.161  -6.659  1.00  0.00           H  
HETATM   57  H3  UNL     1      -0.879  -7.697  -7.508  1.00  0.00           H  
HETATM   58  H4  UNL     1      -1.714  -7.955  -4.643  1.00  0.00           H  
HETATM   59  H5  UNL     1      -1.195  -9.526  -5.385  1.00  0.00           H  
HETATM   60  H6  UNL     1       0.628  -8.300  -4.218  1.00  0.00           H  
HETATM   61  H7  UNL     1       1.006  -8.393  -6.020  1.00  0.00           H  
HETATM   62  H8  UNL     1      -0.040  -6.242  -6.357  1.00  0.00           H  
HETATM   63  H9  UNL     1      -0.341  -6.098  -4.592  1.00  0.00           H  
HETATM   64  H10 UNL     1       2.001  -6.202  -4.116  1.00  0.00           H  
HETATM   65  H11 UNL     1       2.483  -6.628  -5.790  1.00  0.00           H  
HETATM   66  H12 UNL     1       3.194  -4.432  -5.387  1.00  0.00           H  
HETATM   67  H13 UNL     1       1.831  -4.328  -6.517  1.00  0.00           H  
HETATM   68  H14 UNL     1       1.617  -3.576  -3.515  1.00  0.00           H  
HETATM   69  H15 UNL     1       1.944  -2.479  -4.845  1.00  0.00           H  
HETATM   70  H16 UNL     1      -0.732  -4.022  -4.760  1.00  0.00           H  
HETATM   71  H17 UNL     1      -0.153  -2.747  -5.802  1.00  0.00           H  
HETATM   72  H18 UNL     1       0.029  -1.104  -4.075  1.00  0.00           H  
HETATM   73  H19 UNL     1      -1.542  -1.204  -2.272  1.00  0.00           H  
HETATM   74  H20 UNL     1      -1.590  -4.192  -3.040  1.00  0.00           H  
HETATM   75  H21 UNL     1      -1.798  -3.593  -1.402  1.00  0.00           H  
HETATM   76  H22 UNL     1      -3.950  -4.172  -2.346  1.00  0.00           H  
HETATM   77  H23 UNL     1      -3.771  -2.939  -3.659  1.00  0.00           H  
HETATM   78  H24 UNL     1      -3.669  -1.143  -2.184  1.00  0.00           H  
HETATM   79  H25 UNL     1      -5.137  -2.087  -1.852  1.00  0.00           H  
HETATM   80  H26 UNL     1      -4.270  -3.158   0.068  1.00  0.00           H  
HETATM   81  H27 UNL     1      -2.635  -2.316  -0.061  1.00  0.00           H  
HETATM   82  H28 UNL     1      -4.107  -1.278   1.585  1.00  0.00           H  
HETATM   83  H29 UNL     1      -5.358  -0.997   0.369  1.00  0.00           H  
HETATM   84  H30 UNL     1      -3.731   0.413  -0.993  1.00  0.00           H  
HETATM   85  H31 UNL     1      -2.490   0.169   0.232  1.00  0.00           H  
HETATM   86  H32 UNL     1      -5.182   1.507   0.672  1.00  0.00           H  
HETATM   87  H33 UNL     1      -3.632   2.337   0.536  1.00  0.00           H  
HETATM   88  H34 UNL     1      -2.875   0.283   4.618  1.00  0.00           H  
HETATM   89  H35 UNL     1      -3.137   2.087   4.760  1.00  0.00           H  
HETATM   90  H36 UNL     1      -0.425   0.684   4.341  1.00  0.00           H  
HETATM   91  H37 UNL     1      -1.763   1.899   6.784  1.00  0.00           H  
HETATM   92  H38 UNL     1      -0.030   1.277   6.690  1.00  0.00           H  
HETATM   93  H39 UNL     1       0.850  -0.951   6.784  1.00  0.00           H  
HETATM   94  H40 UNL     1      -0.137  -2.465   6.690  1.00  0.00           H  
HETATM   95  H41 UNL     1       1.411  -3.505   8.364  1.00  0.00           H  
HETATM   96  H42 UNL     1       2.386  -1.994   8.353  1.00  0.00           H  
HETATM   97  H43 UNL     1       2.833  -4.761   5.404  1.00  0.00           H  
HETATM   98  H44 UNL     1       1.846  -5.146   6.831  1.00  0.00           H  
HETATM   99  H45 UNL     1       1.136  -4.222   5.400  1.00  0.00           H  
HETATM  100  H46 UNL     1       4.208  -2.536   7.661  1.00  0.00           H  
HETATM  101  H47 UNL     1       4.550  -3.380   6.120  1.00  0.00           H  
HETATM  102  H48 UNL     1       4.011  -4.308   7.606  1.00  0.00           H  
HETATM  103  H49 UNL     1       1.571  -2.080   5.042  1.00  0.00           H  
HETATM  104  H50 UNL     1       2.815  -1.181   6.035  1.00  0.00           H  
HETATM  105  H51 UNL     1       3.316  -2.424   4.809  1.00  0.00           H  
HETATM  106  H52 UNL     1       1.467   4.273   2.223  1.00  0.00           H  
HETATM  107  H53 UNL     1       2.024   4.435   3.885  1.00  0.00           H  
HETATM  108  H54 UNL     1       0.042   5.723   4.512  1.00  0.00           H  
HETATM  109  H55 UNL     1       0.871   6.353   3.060  1.00  0.00           H  
HETATM  110  H56 UNL     1      -1.672   4.643   3.033  1.00  0.00           H  
HETATM  111  H57 UNL     1      -1.555   6.418   2.881  1.00  0.00           H  
HETATM  112  H58 UNL     1      -0.119   6.176   0.832  1.00  0.00           H  
HETATM  113  H59 UNL     1      -0.216   4.380   1.074  1.00  0.00           H  
HETATM  114  H60 UNL     1      -2.668   4.492   0.847  1.00  0.00           H  
HETATM  115  H61 UNL     1      -2.638   6.256   0.765  1.00  0.00           H  
HETATM  116  H62 UNL     1      -1.649   4.245  -1.360  1.00  0.00           H  
HETATM  117  H63 UNL     1      -3.052   5.394  -1.392  1.00  0.00           H  
HETATM  118  H64 UNL     1      -0.207   6.304  -1.200  1.00  0.00           H  
HETATM  119  H65 UNL     1      -1.731   7.273  -1.368  1.00  0.00           H  
HETATM  120  H66 UNL     1      -2.250   6.159  -3.597  1.00  0.00           H  
HETATM  121  H67 UNL     1      -0.404   5.905  -5.017  1.00  0.00           H  
HETATM  122  H68 UNL     1       1.779   6.833  -4.017  1.00  0.00           H  
HETATM  123  H69 UNL     1       1.279   6.051  -2.431  1.00  0.00           H  
HETATM  124  H70 UNL     1       1.228   3.827  -3.893  1.00  0.00           H  
HETATM  125  H71 UNL     1       1.779   4.855  -5.182  1.00  0.00           H  
HETATM  126  H72 UNL     1       3.547   3.520  -4.194  1.00  0.00           H  
HETATM  127  H73 UNL     1       3.875   5.218  -4.461  1.00  0.00           H  
HETATM  128  H74 UNL     1       3.835   5.632  -1.953  1.00  0.00           H  
HETATM  129  H75 UNL     1       5.027   4.541  -2.612  1.00  0.00           H  
HETATM  130  H76 UNL     1       4.032   2.582  -1.782  1.00  0.00           H  
HETATM  131  H77 UNL     1       4.513   3.755  -0.566  1.00  0.00           H  
HETATM  132  H78 UNL     1       2.153   4.339  -0.050  1.00  0.00           H  
HETATM  133  H79 UNL     1       2.628   2.666   0.269  1.00  0.00           H  
HETATM  134  H80 UNL     1       0.576   3.656  -1.755  1.00  0.00           H  
HETATM  135  H81 UNL     1       0.495   2.621  -0.356  1.00  0.00           H  
HETATM  136  H82 UNL     1       2.404   1.359  -2.141  1.00  0.00           H  
HETATM  137  H83 UNL     1       0.882   0.791  -1.443  1.00  0.00           H  
HETATM  138  H84 UNL     1       0.811   1.633  -2.999  1.00  0.00           H  
CONECT    1    2   55   56   57
CONECT    2    3   58   59
CONECT    3    4   60   61
CONECT    4    5   62   63
CONECT    5    6   64   65
CONECT    6    7   66   67
CONECT    7    8   68   69
CONECT    8    9   70   71
CONECT    9   10   10   72
CONECT   10   11   73
CONECT   11   12   74   75
CONECT   12   13   76   77
CONECT   13   14   78   79
CONECT   14   15   80   81
CONECT   15   16   82   83
CONECT   16   17   84   85
CONECT   17   18   86   87
CONECT   18   19   19   20
CONECT   20   21
CONECT   21   22   88   89
CONECT   22   23   35   90
CONECT   23   24   91   92
CONECT   24   25
CONECT   25   26   26   27   28
CONECT   28   29
CONECT   29   30   93   94
CONECT   30   31   95   96
CONECT   31   32   33   34
CONECT   32   97   98   99
CONECT   33  100  101  102
CONECT   34  103  104  105
CONECT   35   36
CONECT   36   37   37   38
CONECT   38   39  106  107
CONECT   39   40  108  109
CONECT   40   41  110  111
CONECT   41   42  112  113
CONECT   42   43  114  115
CONECT   43   44  116  117
CONECT   44   45  118  119
CONECT   45   46   46  120
CONECT   46   47  121
CONECT   47   48  122  123
CONECT   48   49  124  125
CONECT   49   50  126  127
CONECT   50   51  128  129
CONECT   51   52  130  131
CONECT   52   53  132  133
CONECT   53   54  134  135
CONECT   54  136  137  138
END
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SMILES for HMDB0000593 (PC(36:2))

[H][C@@](COC(=O)CCCCCCC\C=C/CCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
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INCHI for HMDB0000593 (PC(36:2))

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(R-(Z,Z))-(7-Oleoyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-enyl)trimethylammonium 4-oxideChEBI
1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phosphocholineChEBI
1,2-Dioleoyl-L-alpha-lecithinChEBI
1-(9Z)-Octadecenoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phosphocholineChEBI
1-C18:1(Omega-9)-2-C18:1(omega-9)-phosphatidylcholineChEBI
Dioleoyl lecithinChEBI
Dioleoyl phosphatidylcholineChEBI
PC 18:1ChEBI
PC(18:1(9Z)/18:1(9Z))ChEBI
PC(18:1/18:1)ChEBI
Phosphatidylcholine 18:1ChEBI
1,2-Dioleoyl-L-a-lecithinGenerator
1,2-Dioleoyl-L-α-lecithinGenerator
1,2-Di-(9Z)-octadecenoyl-sn-glycero-3-phosphocholineHMDB
1,2-Dioleoyl-sn-glycerol-3-ethylphosphocholineMeSH
DioleylphosphatidylcholineMeSH
1,2-Oleoylphosphatidylcholine, (L-alpha)-(R-(Z,Z))-isomerMeSH
DielaidoylphosphatidylcholineMeSH
DioleoylphosphatidylcholineMeSH
1,2-DioleoylglycerophosphocholineMeSH
1,2-Oleoyl-sn-glycero-3-phosphocholineMeSH
DOPCMeSH
Dielaidinoyl lecithinMeSH
1,2-DOCPCMeSH
1,2-Dioleoyl glycerophosphocholineMeSH
1,2-Dioleoyl-sn-glycero-3-phosphocholineMeSH
1,2-OleoylphosphatidylcholineMeSH
1,2-Dioleoyl-GPCHMDB
1,2-Dioleoyl-sn-glycero-phosphatidylcholineHMDB
GPC(18:1(9Z)/18:1(9Z))HMDB
GPC(18:1/18:1)HMDB
GPC(18:1n9/18:1n9)HMDB
GPC(18:1w9/18:1w9)HMDB
GPC(36:2)HMDB
GPCho(18:1(9Z)/18:1(9Z))HMDB
GPCho(18:1/18:1)HMDB
GPCho(18:1n9/18:1n9)HMDB
GPCho(18:1w9/18:1w9)HMDB
GPCho(36:2)HMDB
PC(18:1n9/18:1n9)HMDB
PC(18:1w9/18:1w9)HMDB
PC(36:2)HMDB
Phosphatidylcholine(18:1(9Z)/18:1(9Z))HMDB
Phosphatidylcholine(18:1/18:1)HMDB
Phosphatidylcholine(18:1n9/18:1n9)HMDB
Phosphatidylcholine(18:1w9/18:1w9)HMDB
Phosphatidylcholine(36:2)HMDB
1,2-Dioleoyl-3-sn-phosphatidylcholineHMDB
1,2-Dioleoyl-sn-glycero-3-phosphochlineHMDB
1,2-Dioleoyl-sn-glycero-3-phosphorylcholineHMDB
1,2-Dioleoyl-sn-phosphatidylcholineHMDB
1,2-DioleoylphosphatidylcholineHMDB
1,2-Dioleyl-L-lecithinHMDB
Dioleoyl L-alpha-lecithinHMDB
Dioleoyl L-α-lecithinHMDB
Dioleoyl-3-sn-phosphatidylcholineHMDB
Dioleoyl-L-alpha-glycerophosphocholineHMDB
Dioleoyl-L-alpha-glycerophosphorylcholineHMDB
Dioleoyl-L-alpha-phosphatidylcholineHMDB
Dioleoyl-L-α-glycerophosphocholineHMDB
Dioleoyl-L-α-glycerophosphorylcholineHMDB
Dioleoyl-L-α-phosphatidylcholineHMDB
DioleoyllecithinHMDB
L-Dioleoyl lecithinHMDB
L-DioleoylphosphatidylcholineHMDB
L-alpha-Di(cis-9-octadecanoyl) lecithinHMDB
L-alpha-Dioleoyl phosphatidylcholineHMDB
L-alpha-DioleoyllecithinHMDB
L-alpha-DioleylphosphatidylcholineHMDB
L-α-Di(cis-9-octadecanoyl) lecithinHMDB
L-α-Dioleoyl phosphatidylcholineHMDB
L-α-DioleoyllecithinHMDB
L-α-DioleylphosphatidylcholineHMDB
sn-3-DioleoyllecithinHMDB
1,2-Dioleoylglycerol-3-phosphorylcholineHMDB
1,2-Dioleoylglyceryl-3-phosphorylcholineHMDB
1,2-DioleoyllecithinHMDB
DioleoylglycerophosphocholineHMDB
DioleoylglycerophosphorylcholineHMDB
DioleoylglycerylphosphorylcholineHMDB
Dioleyl lecithinHMDB
Dioleyl phosphatidylcholineHMDB
Chemical FormulaC44H84NO8P
Average Molecular Weight786.1134
Monoisotopic Molecular Weight785.593455181
IUPAC Name(2-{[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
Traditional Name(2-{[(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium
CAS Registry Number4235-95-4
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
InChI Identifier
InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
InChI KeySNKAWJBJQDLSFF-NVKMUCNASA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phosphatidylcholines. These are glycerophosphocholines in which the two free -OH are attached to one fatty acid each through an ester linkage.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphocholines
Direct ParentPhosphatidylcholines
Alternative Parents
Substituents
  • Diacylglycero-3-phosphocholine
  • Phosphocholine
  • Fatty acid ester
  • Dialkyl phosphate
  • Dicarboxylic acid or derivatives
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acyl
  • Quaternary ammonium salt
  • Tetraalkylammonium salt
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic salt
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationSource
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 Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available279.494http://allccs.zhulab.cn/database/detail?ID=AllCCS00001884
[M+H]+Not Available296.418http://allccs.zhulab.cn/database/detail?ID=AllCCS00001884
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.2e-05 g/LALOGPS
logP5.78ALOGPS
logP9.17ChemAxon
logS-7.6ALOGPS
pKa (Strongest Acidic)1.86ChemAxon
pKa (Strongest Basic)-6.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area111.19 ŲChemAxon
Rotatable Bond Count42ChemAxon
Refractivity236.5 m³·mol⁻¹ChemAxon
Polarizability96.97 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+294.36832859911
AllCCS[M-H]-283.08432859911
DeepCCS[M+H]+295.0630932474
DeepCCS[M-H]-293.23530932474
DeepCCS[M-2H]-326.47930932474
DeepCCS[M+Na]+300.66630932474
AllCCS[M+H]+294.432859911
AllCCS[M+H-H2O]+294.332859911
AllCCS[M+NH4]+294.432859911
AllCCS[M+Na]+294.432859911
AllCCS[M-H]-283.132859911
AllCCS[M+Na-2H]-287.832859911
AllCCS[M+HCOO]-293.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PC(18:1(9Z)/18:1(9Z))CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC5017.8Standard polar33892256
PC(18:1(9Z)/18:1(9Z))CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC4561.6Standard non polar33892256
PC(18:1(9Z)/18:1(9Z))CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC5125.9Semi standard non polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 10V, Positive-QTOFsplash10-000i-0000000900-36f689a3cf8b031c9ce52017-10-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 20V, Positive-QTOFsplash10-0019-0600000900-4df68b8e85813f4b5ad82017-10-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 40V, Positive-QTOFsplash10-0f89-1900021300-f15a88b3adc3a38193cb2017-10-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 10V, Positive-QTOFsplash10-0a4i-0000000090-53a8e01f33b2af13f2262021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 20V, Positive-QTOFsplash10-0a4i-0000000190-64f46bdfe255d6a5b5e42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 40V, Positive-QTOFsplash10-004k-0900139110-7365097ffb2d5d55b4342021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 10V, Positive-QTOFsplash10-0006-0000000900-64c382f846ba04194d312021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 20V, Positive-QTOFsplash10-0006-0000000900-6c06686879d9f7790e622021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 40V, Positive-QTOFsplash10-0a59-0200249400-1ae2411ef15a63cb3b2d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 10V, Positive-QTOFsplash10-000i-0000000900-e54f4b7d729e27672b372021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 20V, Positive-QTOFsplash10-0019-0600000900-3a2440aaca7e87ec13a52021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 40V, Positive-QTOFsplash10-0f89-1900021300-24d60344b49a468b04692021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 10V, Negative-QTOFsplash10-001i-0000000900-23df8d3c4971511f3b912021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 20V, Negative-QTOFsplash10-001i-0050030900-b121f3ff4b078b5df33e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 40V, Negative-QTOFsplash10-001i-1090200000-673c166236d767f9289e2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 10V, Negative-QTOFsplash10-00di-0000000090-683d2aaf9f12a9d086142021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 20V, Negative-QTOFsplash10-00di-0010000090-37042360a3899f1fdc232021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - PC(36:2) 40V, Negative-QTOFsplash10-00f0-0090000090-06eeedb644af6eeff7ec2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Feces
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified44.5 (37.6-53.3) uMNewborn (0-30 days old)Not Available
Normal		 details
BloodDetected and Quantified212 (183-244) uMInfant (0-1 year old)Not Available
Normal		 details
BloodDetected and Quantified250.7 +/- 47.2 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified267.03(66.1) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified100.0-425.0 uMAdult (>18 years old)BothNormal details
FecesDetected and Quantified0.84 +/- 2 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified1.46 +/- 2.13 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified0.200 +/- 0.031 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
UrineDetected and Quantified0.016 (0.0021-0.045) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.0833 +/- 0.2914 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified155.673 (140.706) uMAdult (>18 years old)FemalePregnancy with fetus having congenital heart defect details
BloodDetected and Quantified279.018 (74.520) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified192.7 +/- 50.0 uMChildren (1-13 years old)Both
Obesity
    • Metabolomics reve...
 details
BloodDetected and Quantified233.6 +/- 68.4 uMChildren (1-13 years old)Both
Obesity
    • Metabolomics reve...
 details
BloodDetected and Quantified220.75(59.14) uMAdult (>18 years old)BothHeart failure with preserved ejection fraction details
FecesDetected but not QuantifiedNot QuantifiedNewborn (0-30 days old)Not Specified
Premature neonates		 details
FecesDetected but not QuantifiedNot QuantifiedNewborn (0-30 days old)Not Specified
Premature neonates		 details
UrineDetected and Quantified0.0127 +/- 0.0342 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected and Quantified0.0219 +/- 0.0716 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Gastroesophageal reflux disease
    • Analysis of 30 no...
 details
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood242.910 +/- 55.844 uMAdult (>18 years old)BothNormal (Upper Limit)NULL
Blood29.090 +/- 7.790 uMAdult (>18 years old)BothNormal (Most Probable)NULL
Associated Disorders and Diseases
Disease References
Pregnancy
  1. Bahado-Singh RO, Ertl R, Mandal R, Bjorndahl TC, Syngelaki A, Han B, Dong E, Liu PB, Alpay-Savasan Z, Wishart DS, Nicolaides KH: Metabolomic prediction of fetal congenital heart defect in the first trimester. Am J Obstet Gynecol. 2014 Sep;211(3):240.e1-240.e14. doi: 10.1016/j.ajog.2014.03.056. Epub 2014 Apr 1. [PubMed:24704061 ]
Obesity
  1. Simone Wahl, Christina Holzapfel, Zhonghao Yu, Michaela Breier, Ivan Kondofersky, Christiane Fuchs, Paula Singmann, Cornelia Prehn, Jerzy Adamski, Harald Grallert, Thomas Illig, Rui Wang-Sattler, Thomas Reinehr (2013). Metabolomics reveals determinants of weight loss during lifestyle intervention in obese children. Metabolomics.
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8525772
KEGG Compound IDNot Available
BioCyc IDCPD-2181
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound10350317
PDB IDNot Available
ChEBI ID74669
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceTokuyama, Satoru; Morisawa, Kazuya; Nakachi, Osamu; Nakano, Yoshiro; Miki, Tomoharu. Preparation of phosphatidylcholines. Jpn. Kokai Tokkyo Koho (1989), 6 pp.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Myher JJ, Kuksis A, Pind S: Molecular species of glycerophospholipids and sphingomyelins of human plasma: comparison to red blood cells. Lipids. 1989 May;24(5):408-18. [PubMed:2755318 ]
  2. Smith RE, Daleke DL: Phosphatidylserine transport in Rhnull erythrocytes. Blood. 1990 Sep 1;76(5):1021-7. [PubMed:2118395 ]
  3. Pigault C, Follenius-Wund A, Schmutz M, Freyssinet JM, Brisson A: Formation of two-dimensional arrays of annexin V on phosphatidylserine-containing liposomes. J Mol Biol. 1994 Feb 11;236(1):199-208. [PubMed:8107105 ]
  4. Knight JD, Miranker AD: Phospholipid catalysis of diabetic amyloid assembly. J Mol Biol. 2004 Aug 27;341(5):1175-87. [PubMed:15321714 ]
  5. Grasso P, Dattatreyamurty B, Reichert LE Jr: Reconstitution of hormone-responsive detergent-solubilized follicle stimulating hormone receptors into liposomes. Mol Endocrinol. 1988 May;2(5):420-30. [PubMed:3138532 ]
  6. Finean JB, Hutchinson AL: X-ray diffraction studies of lipid phase transitions in cholesterol-rich membranes at sub-zero temperatures. Chem Phys Lipids. 1988 Jan;46(1):63-71. [PubMed:3338100 ]
  7. Pinnaduwage P, Huang L: The role of protein-linked oligosaccharide in the bilayer stabilization activity of glycophorin A for dioleoylphosphatidylethanolamine liposomes. Biochim Biophys Acta. 1989 Nov 17;986(1):106-14. [PubMed:2819088 ]
  8. Seppen J, Jansen PL, Oude Elferink RP: Immunoaffinity purification and reconstitution of the human bilirubin/phenol UDP-glucuronosyltransferase family. Protein Expr Purif. 1995 Apr;6(2):149-54. [PubMed:7606162 ]
  9. Larsen CE, Alford DR, Young LJ, McGraw TP, Duzgunes N: Fusion of simian immunodeficiency virus with liposomes and erythrocyte ghost membranes: effects of lipid composition, pH and calcium. J Gen Virol. 1990 Sep;71 ( Pt 9):1947-55. [PubMed:2120385 ]
  10. Anderluh G, Gutierrez-Aguirre I, Rabzelj S, Ceru S, Kopitar-Jerala N, Macek P, Turk V, Zerovnik E: Interaction of human stefin B in the prefibrillar oligomeric form with membranes. Correlation with cellular toxicity. FEBS J. 2005 Jun;272(12):3042-51. [PubMed:15955063 ]
  11. Billy D, Speijer H, Lindhout T, Hemker HC, Willems GM: Inhibition of prothrombinase at macroscopic lipid membranes: competition between antithrombin and prothrombin. Biochemistry. 1995 Oct 17;34(41):13699-704. [PubMed:7577961 ]
  12. Versluis AJ, Rensen PC, Kuipers ME, Love WG, Taylor PW: Interaction between zinc(II)-phthalocyanine-containing liposomes and human low density lipoprotein. J Photochem Photobiol B. 1994 May;23(2-3):141-8. [PubMed:8040754 ]
  13. Mahadevappa VG, Holub BJ: The molecular species composition of individual diacyl phospholipids in human platelets. Biochim Biophys Acta. 1982 Oct 14;713(1):73-9. [PubMed:7138900 ]
  14. Ritov VB, Menshikova EV, Kelley DE: High-performance liquid chromatography-based methods of enzymatic analysis: electron transport chain activity in mitochondria from human skeletal muscle. Anal Biochem. 2004 Oct 1;333(1):27-38. [PubMed:15351277 ]
  15. Takamura H, Kasai H, Arita H, Kito M: Phospholipid molecular species in human umbilical artery and vein endothelial cells. J Lipid Res. 1990 Apr;31(4):709-17. [PubMed:2351875 ]
  16. Itoh K, Suzuki A, Kuroki Y, Akino T: High performance liquid chromatographic separation of diacylglycerol acetates to quantitate disaturated species of lung phosphatidylcholine. Lipids. 1985 Sep;20(9):611-6. [PubMed:4046747 ]
  17. Wang Z, Klipfell E, Bennett BJ, Koeth R, Levison BS, Dugar B, Feldstein AE, Britt EB, Fu X, Chung YM, Wu Y, Schauer P, Smith JD, Allayee H, Tang WH, DiDonato JA, Lusis AJ, Hazen SL: Gut flora metabolism of phosphatidylcholine promotes cardiovascular disease. Nature. 2011 Apr 7;472(7341):57-63. doi: 10.1038/nature09922. [PubMed:21475195 ]
  18. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  19. 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 ]
  20. 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 ]
  21. 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 ]
  22. Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
  23. Furse S, de Kroon AI: Phosphatidylcholine's functions beyond that of a membrane brick. Mol Membr Biol. 2015;32(4):117-9. doi: 10.3109/09687688.2015.1066894. Epub 2015 Aug 25. [PubMed:26306852 ]
  24. Exton JH: Signaling through phosphatidylcholine breakdown. J Biol Chem. 1990 Jan 5;265(1):1-4. [PubMed:2104616 ]
  25. Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
  26. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
  27. Li, Zhaoyu, and Dennis E. Vance (2008). Thematic Review Series: Glycerolipids. Phosphatidylcholine and choline homeostasis. Journal of Lipid Research.

Only showing the first 10 proteins. There are 78 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Acyl-protein thioesterase 1
General function:
Involved in hydrolase activity
Specific function:
Hydrolyzes fatty acids from S-acylated cysteine residues in proteins such as trimeric G alpha proteins or HRAS. Has depalmitoylating activity and also low lysophospholipase activity.
Gene Name:
LYPLA1
Uniprot ID:
O75608
Molecular weight:
24669.355
Enzyme Details
2. Group XV phospholipase A2
General function:
Involved in phosphatidylcholine-sterol O-acyltransferase activity
Specific function:
Has transacylase and calcium-independent phospholipase A2 activity. Catalyzes the formation of 1-O-acyl-N-acetylsphingosine and the concomitant release of a lyso-phospholipid (By similarity). May have weak lysophospholipase activity.
Gene Name:
PLA2G15
Uniprot ID:
Q8NCC3
Molecular weight:
Not Available
Enzyme Details
3. 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
4. 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
5. 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
6. 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
7. 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
8. 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
9. 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
10. Acyl-protein thioesterase 2
General function:
Involved in hydrolase activity
Specific function:
May hydrolyze fatty acids from S-acylated cysteine residues in proteins such as trimeric G alpha proteins or HRAS. Has lysophospholipase activity (By similarity). Deacylates GAP43.
Gene Name:
LYPLA2
Uniprot ID:
O95372
Molecular weight:
24736.71

Transporters

Enzyme Details
1. Multidrug resistance protein 3
General function:
Involved in ATP binding
Specific function:
Mediates ATP-dependent export of organic anions and drugs from the cytoplasm. Hydrolyzes ATP with low efficiency. Human MDR3 is not capable of conferring drug resistance. Mediates the translocation of phosphatidylcholine across the canalicular membrane of the hepatocyte
Gene Name:
ABCB4
Uniprot ID:
P21439
Molecular weight:
141521.8

Only showing the first 10 proteins. There are 78 proteins in total.

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