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Showing metabocard for 1-Oleoylglycerophosphoserine (HMDB0061694)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2014-04-16 20:45:47 UTC
Update Date2021-09-14 15:42:30 UTC
HMDB IDHMDB0061694
Secondary Accession Numbers
  • HMDB61694
Metabolite Identification
Common Name1-Oleoylglycerophosphoserine
Description1-Oleoylglycerophosphoserine is a phosphatidylserine. It is a glycerophospholipid in which a phosphorylserine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PS(18:1(9Z)/0:0), in particular, consists of two 9Z-octadecenoyl chains at positions C-1 and C-2. Phosphatidylserine or 1,2-diacyl-sn-glycero-3-phospho-L-serine is distributed widely among animals, plants and microorganisms. Phosphatidylserine is an acidic (anionic) phospholipid with three ionizable groups, i.e. the phosphate moiety, the amino group and the carboxyl function. As with other acidic lipids, it exists in nature in salt form, but it has a high propensity to chelate to calcium via the charged oxygen atoms of both the carboxyl and phosphate moieties, modifying the conformation of the polar head group. This interaction may be of considerable relevance to the biological function of phosphatidylserine. 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. Phosphatidylserines typically carry a net charge of -1 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. PS biosynthesis involves an exchange reaction of serine for ethanolamine in PE.
Structure
Data?1563866220
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0061694 (1-Oleoylglycerophosphoserine)


  Mrv1652305171802382D          

 35 34  0  0  0  0            999 V2000
    2.6151    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296    8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    3.9849    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.8881    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6190    4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6190    5.2224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3335    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0480    4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0631    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3335    3.1599    0.0000 O   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
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  7  8  1  0  0  0  0
  9  8  1  4  0  0  0
  9 10  2  0  0  0  0
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 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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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
 22 24  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 26  1  0  0  0  0
 35 32  1  0  0  0  0
M  END
Download

3D MOL for HMDB0061694 (1-Oleoylglycerophosphoserine)

HMDB0061694
     RDKit          3D
1-Oleoylglycerophosphoserine
 81 80  0  0  0  0  0  0  0  0999 V2000
  -10.5747    3.3694   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5453    1.9183   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6008    0.9922   -1.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5865   -0.4363   -0.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3583   -0.7584   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0910   -0.5377   -0.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9105   -0.9070   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6032   -0.7058   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4709   -1.0675    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308   -2.0342   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4893   -2.4307    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381   -1.5783    1.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799   -2.0193    2.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -1.9475    2.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733   -0.7223    1.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    0.1466    0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752    1.3202    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268    0.6508   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    0.2044   -1.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    0.5058    0.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230   -0.0857    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4197    0.5505   -0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916    0.5977   -2.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7045   -0.2755   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5490    0.3101   -1.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9708   -0.5402   -2.1300 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.6805    0.0647   -3.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6900   -2.1620   -2.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0163   -0.3621   -0.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8150    0.7553   -1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823    0.9913    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9744    1.1972    1.3007 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5997    2.2042   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3680    2.2104   -1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5756    3.3329    0.6696 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3359    3.4682   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8443    4.0000    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5601    3.6926   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4074    1.7220    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5622    1.7425    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7227    1.2347   -2.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4934    1.2246   -2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4717   -0.6789   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6064   -1.1209   -1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3352   -0.1866    0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4235   -1.8379    0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1096   -1.1764   -1.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9833    0.5024   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9817   -1.9462    0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8971   -0.2627    0.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5590   -1.3401   -1.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4889    0.3564   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793   -0.4995    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7696   -2.5666   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -3.5089    0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721   -2.2481   -0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061   -1.8023    2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.5393    1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806   -1.4986    3.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -3.1062    2.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0665   -2.6647    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -2.4631    2.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -0.0665    2.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6945   -1.0485    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686    0.6517    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906   -0.4110   -0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2449    1.8728    1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    1.9611   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -1.2026    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -0.0537    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7324    1.6007   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0509    1.3951   -2.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728   -0.4415   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3955   -1.2568   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3751   -2.7236   -2.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1635    1.6337   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4011    0.6141   -1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4509    0.1452    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6776    0.2938    1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1452    1.7688    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8419    4.0191    0.6776 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  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 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  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
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 25 26  1  0
 26 27  2  0
 26 28  1  0
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 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 33 35  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  2 40  1  0
  3 41  1  0
  3 42  1  0
  4 43  1  0
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  5 46  1  0
  6 47  1  0
  6 48  1  0
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  7 50  1  0
  8 51  1  0
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 10 54  1  0
 11 55  1  0
 11 56  1  0
 12 57  1  0
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 14 61  1  0
 14 62  1  0
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 17 67  1  0
 17 68  1  0
 21 69  1  0
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 28 75  1  0
 30 76  1  0
 30 77  1  0
 31 78  1  0
 32 79  1  0
 32 80  1  0
 35 81  1  0
M  END
Download

3D SDF for HMDB0061694 (1-Oleoylglycerophosphoserine)


  Mrv1652305171802382D          

 35 34  0  0  0  0            999 V2000
    2.6151    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296    8.5224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0441    6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    3.9849    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.8881    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6190    4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6190    5.2224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3335    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0480    4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0631    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3335    3.1599    0.0000 O   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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  4  0  0  0
  9 10  2  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  1  0  0  0  0
 14 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  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
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  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
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 26  1  0  0  0  0
 35 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0061694

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)

> <INCHI_KEY>
JZWNYZVVZXZRRH-UHFFFAOYSA-N

> <FORMULA>
C24H46NO9P

> <MOLECULAR_WEIGHT>
523.604

> <EXACT_MASS>
523.291019063

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
58.90849816638064

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-({hydroxy[2-hydroxy-3-(octadec-9-enoyloxy)propoxy]phosphoryl}oxy)propanoic acid

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
3.1396522024248794

> <ALOGPS_LOGS>
-5.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.2134287109159323

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.50800638421169

> <JCHEM_PKA_STRONGEST_BASIC>
9.376581814113422

> <JCHEM_POLAR_SURFACE_AREA>
165.60999999999999

> <JCHEM_REFRACTIVITY>
133.561

> <JCHEM_ROTATABLE_BOND_COUNT>
25

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.88e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-3-{[hydroxy(2-hydroxy-3-(octadec-9-enoyloxy)propoxy)phosphoryl]oxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0061694 (1-Oleoylglycerophosphoserine)

HMDB0061694
     RDKit          3D
1-Oleoylglycerophosphoserine
 81 80  0  0  0  0  0  0  0  0999 V2000
  -10.5747    3.3694   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5453    1.9183   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6008    0.9922   -1.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5865   -0.4363   -0.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3583   -0.7584   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0910   -0.5377   -0.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9105   -0.9070   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6032   -0.7058   -0.8414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4709   -1.0675    0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6308   -2.0342   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4893   -2.4307    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4381   -1.5783    1.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799   -2.0193    2.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -1.9475    2.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733   -0.7223    1.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0767    0.1466    0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752    1.3202    0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268    0.6508   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    0.2044   -1.3749 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4284    0.5058    0.6014 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230   -0.0857    0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4197    0.5505   -0.8348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916    0.5977   -2.0459 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7045   -0.2755   -0.9843 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5490    0.3101   -1.9248 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9708   -0.5402   -2.1300 P   0  0  0  0  0  5  0  0  0  0  0  0
    9.6805    0.0647   -3.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6900   -2.1620   -2.4854 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0163   -0.3621   -0.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8150    0.7553   -1.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823    0.9913    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9744    1.1972    1.3007 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5997    2.2042   -0.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3680    2.2104   -1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5756    3.3329    0.6696 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3359    3.4682   -1.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8443    4.0000    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5601    3.6926   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4074    1.7220    0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5622    1.7425    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7227    1.2347   -2.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4934    1.2246   -2.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4717   -0.6789   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6064   -1.1209   -1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3352   -0.1866    0.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4235   -1.8379    0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1096   -1.1764   -1.8894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9833    0.5024   -1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9817   -1.9462    0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8971   -0.2627    0.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5590   -1.3401   -1.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4889    0.3564   -1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3793   -0.4995    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7696   -2.5666   -1.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4982   -3.5089    0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721   -2.2481   -0.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061   -1.8023    2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4434   -0.5393    1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2806   -1.4986    3.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -3.1062    2.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0665   -2.6647    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -2.4631    2.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -0.0665    2.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6945   -1.0485    1.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686    0.6517    0.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906   -0.4110   -0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2449    1.8728    1.1796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    1.9611   -0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327   -1.2026    0.0949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933   -0.0537    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7324    1.6007   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0509    1.3951   -2.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1728   -0.4415   -0.0131 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3955   -1.2568   -1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3751   -2.7236   -2.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1635    1.6337   -1.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4011    0.6141   -1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4509    0.1452    0.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6776    0.2938    1.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1452    1.7688    1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8419    4.0191    0.6776 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  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 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  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 33 35  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  2 40  1  0
  3 41  1  0
  3 42  1  0
  4 43  1  0
  4 44  1  0
  5 45  1  0
  5 46  1  0
  6 47  1  0
  6 48  1  0
  7 49  1  0
  7 50  1  0
  8 51  1  0
  8 52  1  0
  9 53  1  0
 10 54  1  0
 11 55  1  0
 11 56  1  0
 12 57  1  0
 12 58  1  0
 13 59  1  0
 13 60  1  0
 14 61  1  0
 14 62  1  0
 15 63  1  0
 15 64  1  0
 16 65  1  0
 16 66  1  0
 17 67  1  0
 17 68  1  0
 21 69  1  0
 21 70  1  0
 22 71  1  0
 23 72  1  0
 24 73  1  0
 24 74  1  0
 28 75  1  0
 30 76  1  0
 30 77  1  0
 31 78  1  0
 32 79  1  0
 32 80  1  0
 35 81  1  0
M  END
Download

PDB for HMDB0061694 (1-Oleoylglycerophosphoserine)

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1  C   UNK     0       4.882  18.218   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.882  16.678   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.215  15.908   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.215  14.368   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.549  13.598   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.549  12.058   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.883  11.288   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.883   9.748   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.216   8.978   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.216   7.438   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.217   6.668   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      16.885   6.668   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      18.218   7.438   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      20.886   8.978   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      22.219   6.668   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      23.553   7.438   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      24.887   6.668   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      24.887   5.128   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      26.220   7.438   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      27.554   6.668   0.000  0.00  0.00           O+0
HETATM   26  P   UNK     0      28.888   7.438   0.000  0.00  0.00           P+0
HETATM   27  O   UNK     0      29.658   6.105   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      30.222   8.208   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      31.555   7.438   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      32.889   8.208   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      32.889   9.748   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      34.223   7.438   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      35.556   8.208   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      28.118   8.772   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      34.223   5.898   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28   34                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   35                                                  
CONECT   33   32                                                            
CONECT   34   26                                                            
CONECT   35   32                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   68    0
END
Download

3D PDB for HMDB0061694 (1-Oleoylglycerophosphoserine)

COMPND    HMDB0061694
HETATM    1  C1  UNL     1     -10.575   3.369  -0.696  1.00  0.00           C  
HETATM    2  C2  UNL     1     -10.545   1.918  -0.216  1.00  0.00           C  
HETATM    3  C3  UNL     1     -10.601   0.992  -1.408  1.00  0.00           C  
HETATM    4  C4  UNL     1     -10.586  -0.436  -0.955  1.00  0.00           C  
HETATM    5  C5  UNL     1      -9.358  -0.758  -0.183  1.00  0.00           C  
HETATM    6  C6  UNL     1      -8.091  -0.538  -0.989  1.00  0.00           C  
HETATM    7  C7  UNL     1      -6.911  -0.907  -0.085  1.00  0.00           C  
HETATM    8  C8  UNL     1      -5.603  -0.706  -0.841  1.00  0.00           C  
HETATM    9  C9  UNL     1      -4.471  -1.068   0.055  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.631  -2.034  -0.273  1.00  0.00           C  
HETATM   11  C11 UNL     1      -2.489  -2.431   0.585  1.00  0.00           C  
HETATM   12  C12 UNL     1      -2.438  -1.578   1.859  1.00  0.00           C  
HETATM   13  C13 UNL     1      -1.280  -2.019   2.683  1.00  0.00           C  
HETATM   14  C14 UNL     1       0.024  -1.947   2.038  1.00  0.00           C  
HETATM   15  C15 UNL     1       0.673  -0.722   1.588  1.00  0.00           C  
HETATM   16  C16 UNL     1       0.077   0.147   0.546  1.00  0.00           C  
HETATM   17  C17 UNL     1       1.075   1.320   0.262  1.00  0.00           C  
HETATM   18  C18 UNL     1       2.327   0.651  -0.201  1.00  0.00           C  
HETATM   19  O1  UNL     1       2.367   0.204  -1.375  1.00  0.00           O  
HETATM   20  O2  UNL     1       3.428   0.506   0.601  1.00  0.00           O  
HETATM   21  C19 UNL     1       4.623  -0.086   0.268  1.00  0.00           C  
HETATM   22  C20 UNL     1       5.420   0.550  -0.835  1.00  0.00           C  
HETATM   23  O3  UNL     1       4.792   0.598  -2.046  1.00  0.00           O  
HETATM   24  C21 UNL     1       6.705  -0.276  -0.984  1.00  0.00           C  
HETATM   25  O4  UNL     1       7.549   0.310  -1.925  1.00  0.00           O  
HETATM   26  P1  UNL     1       8.971  -0.540  -2.130  1.00  0.00           P  
HETATM   27  O5  UNL     1       9.681   0.065  -3.342  1.00  0.00           O  
HETATM   28  O6  UNL     1       8.690  -2.162  -2.485  1.00  0.00           O  
HETATM   29  O7  UNL     1      10.016  -0.362  -0.808  1.00  0.00           O  
HETATM   30  C22 UNL     1      10.815   0.755  -1.039  1.00  0.00           C  
HETATM   31  C23 UNL     1      11.782   0.991   0.102  1.00  0.00           C  
HETATM   32  N1  UNL     1      10.974   1.197   1.301  1.00  0.00           N  
HETATM   33  C24 UNL     1      12.600   2.204  -0.133  1.00  0.00           C  
HETATM   34  O8  UNL     1      13.368   2.210  -1.128  1.00  0.00           O  
HETATM   35  O9  UNL     1      12.576   3.333   0.670  1.00  0.00           O  
HETATM   36  H1  UNL     1     -11.336   3.468  -1.494  1.00  0.00           H  
HETATM   37  H2  UNL     1     -10.844   4.000   0.181  1.00  0.00           H  
HETATM   38  H3  UNL     1      -9.560   3.693  -1.030  1.00  0.00           H  
HETATM   39  H4  UNL     1     -11.407   1.722   0.446  1.00  0.00           H  
HETATM   40  H5  UNL     1      -9.562   1.743   0.295  1.00  0.00           H  
HETATM   41  H6  UNL     1      -9.723   1.235  -2.036  1.00  0.00           H  
HETATM   42  H7  UNL     1     -11.493   1.225  -2.038  1.00  0.00           H  
HETATM   43  H8  UNL     1     -11.472  -0.679  -0.319  1.00  0.00           H  
HETATM   44  H9  UNL     1     -10.606  -1.121  -1.848  1.00  0.00           H  
HETATM   45  H10 UNL     1      -9.335  -0.187   0.764  1.00  0.00           H  
HETATM   46  H11 UNL     1      -9.424  -1.838   0.116  1.00  0.00           H  
HETATM   47  H12 UNL     1      -8.110  -1.176  -1.889  1.00  0.00           H  
HETATM   48  H13 UNL     1      -7.983   0.502  -1.304  1.00  0.00           H  
HETATM   49  H14 UNL     1      -6.982  -1.946   0.244  1.00  0.00           H  
HETATM   50  H15 UNL     1      -6.897  -0.263   0.813  1.00  0.00           H  
HETATM   51  H16 UNL     1      -5.559  -1.340  -1.737  1.00  0.00           H  
HETATM   52  H17 UNL     1      -5.489   0.356  -1.141  1.00  0.00           H  
HETATM   53  H18 UNL     1      -4.379  -0.499   0.980  1.00  0.00           H  
HETATM   54  H19 UNL     1      -3.770  -2.567  -1.203  1.00  0.00           H  
HETATM   55  H20 UNL     1      -2.498  -3.509   0.852  1.00  0.00           H  
HETATM   56  H21 UNL     1      -1.572  -2.248  -0.006  1.00  0.00           H  
HETATM   57  H22 UNL     1      -3.406  -1.802   2.440  1.00  0.00           H  
HETATM   58  H23 UNL     1      -2.443  -0.539   1.577  1.00  0.00           H  
HETATM   59  H24 UNL     1      -1.281  -1.499   3.693  1.00  0.00           H  
HETATM   60  H25 UNL     1      -1.493  -3.106   2.974  1.00  0.00           H  
HETATM   61  H26 UNL     1       0.066  -2.665   1.118  1.00  0.00           H  
HETATM   62  H27 UNL     1       0.788  -2.463   2.729  1.00  0.00           H  
HETATM   63  H28 UNL     1       0.963  -0.066   2.486  1.00  0.00           H  
HETATM   64  H29 UNL     1       1.695  -1.049   1.162  1.00  0.00           H  
HETATM   65  H30 UNL     1      -0.869   0.652   0.827  1.00  0.00           H  
HETATM   66  H31 UNL     1      -0.091  -0.411  -0.387  1.00  0.00           H  
HETATM   67  H32 UNL     1       1.245   1.873   1.180  1.00  0.00           H  
HETATM   68  H33 UNL     1       0.642   1.961  -0.515  1.00  0.00           H  
HETATM   69  H34 UNL     1       4.533  -1.203   0.095  1.00  0.00           H  
HETATM   70  H35 UNL     1       5.293  -0.054   1.186  1.00  0.00           H  
HETATM   71  H36 UNL     1       5.732   1.601  -0.549  1.00  0.00           H  
HETATM   72  H37 UNL     1       5.051   1.395  -2.585  1.00  0.00           H  
HETATM   73  H38 UNL     1       7.173  -0.441  -0.013  1.00  0.00           H  
HETATM   74  H39 UNL     1       6.396  -1.257  -1.401  1.00  0.00           H  
HETATM   75  H40 UNL     1       9.375  -2.724  -2.049  1.00  0.00           H  
HETATM   76  H41 UNL     1      10.164   1.634  -1.183  1.00  0.00           H  
HETATM   77  H42 UNL     1      11.401   0.614  -1.975  1.00  0.00           H  
HETATM   78  H43 UNL     1      12.451   0.145   0.247  1.00  0.00           H  
HETATM   79  H44 UNL     1      10.678   0.294   1.698  1.00  0.00           H  
HETATM   80  H45 UNL     1      10.145   1.769   1.049  1.00  0.00           H  
HETATM   81  H46 UNL     1      11.842   4.019   0.678  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3   39   40
CONECT    3    4   41   42
CONECT    4    5   43   44
CONECT    5    6   45   46
CONECT    6    7   47   48
CONECT    7    8   49   50
CONECT    8    9   51   52
CONECT    9   10   10   53
CONECT   10   11   54
CONECT   11   12   55   56
CONECT   12   13   57   58
CONECT   13   14   59   60
CONECT   14   15   61   62
CONECT   15   16   63   64
CONECT   16   17   65   66
CONECT   17   18   67   68
CONECT   18   19   19   20
CONECT   20   21
CONECT   21   22   69   70
CONECT   22   23   24   71
CONECT   23   72
CONECT   24   25   73   74
CONECT   25   26
CONECT   26   27   27   28   29
CONECT   28   75
CONECT   29   30
CONECT   30   31   76   77
CONECT   31   32   33   78
CONECT   32   79   80
CONECT   33   34   34   35
CONECT   35   81
END
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SMILES for HMDB0061694 (1-Oleoylglycerophosphoserine)

CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O
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INCHI for HMDB0061694 (1-Oleoylglycerophosphoserine)

InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC24H46NO9P
Average Molecular Weight523.604
Monoisotopic Molecular Weight523.291019063
IUPAC Name2-amino-3-({hydroxy[2-hydroxy-3-(octadec-9-enoyloxy)propoxy]phosphoryl}oxy)propanoic acid
Traditional Name2-amino-3-{[hydroxy(2-hydroxy-3-(octadec-9-enoyloxy)propoxy)phosphoryl]oxy}propanoic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O
InChI Identifier
InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)
InChI KeyJZWNYZVVZXZRRH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-acyl-glycerol-3-phosphoserines. These are monoacylglycerol-3-phosphoserines with a fatty acyl chain linked to the O1-atom of the glycerol moiety.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphoserines
Direct Parent1-acyl-glycerol-3-phosphoserines
Alternative Parents
Substituents
  • 1-monoacyl-glycerol-3-phosphoserine
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Phosphoethanolamine
  • Fatty acid ester
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Dicarboxylic acid or derivatives
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acyl
  • Amino acid
  • Carboxylic acid ester
  • Secondary alcohol
  • Amino acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
Process
Naturally occurring process
Role
Biological role
Physical Properties
StateNot Available
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 Solubility0.004 g/LALOGPS
logP1.48ALOGPS
logP3.14ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)1.51ChemAxon
pKa (Strongest Basic)9.38ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area165.61 ŲChemAxon
Rotatable Bond Count25ChemAxon
Refractivity133.56 m³·mol⁻¹ChemAxon
Polarizability58.91 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
DeepCCS[M+H]+217.12330932474
DeepCCS[M-H]-213.10330932474
DeepCCS[M-2H]-249.64530932474
DeepCCS[M+Na]+225.93830932474
AllCCS[M+H]+229.032859911
AllCCS[M+H-H2O]+227.632859911
AllCCS[M+NH4]+230.232859911
AllCCS[M+Na]+230.632859911
AllCCS[M-H]-224.532859911
AllCCS[M+Na-2H]-228.032859911
AllCCS[M+HCOO]-232.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-OleoylglycerophosphoserineCCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O4013.3Standard polar33892256
1-OleoylglycerophosphoserineCCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O3320.4Standard non polar33892256
1-OleoylglycerophosphoserineCCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O3821.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1-Oleoylglycerophosphoserine,1TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)O[Si](C)(C)C3937.1Semi standard non polar33892256
1-Oleoylglycerophosphoserine,1TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C3843.7Semi standard non polar33892256
1-Oleoylglycerophosphoserine,1TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C3840.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,1TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O3982.5Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3793.9Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3820.9Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C3946.4Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3742.2Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C3895.2Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C3903.5Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4077.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3726.7Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3500.5Standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C5122.8Standard polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3825.1Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3623.9Standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C4875.0Standard polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3853.3Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3635.2Standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C4576.7Standard polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4054.5Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3675.3Standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C5023.4Standard polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3789.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3621.3Standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C4469.7Standard polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4016.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3652.9Standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4936.9Standard polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4002.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3672.0Standard non polar33892256
1-Oleoylglycerophosphoserine,3TMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4634.6Standard polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3772.3Semi standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3636.2Standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4151.8Standard polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3982.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3671.6Standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4595.1Standard polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3984.8Semi standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3678.7Standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4340.9Standard polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3949.4Semi standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3662.3Standard non polar33892256
1-Oleoylglycerophosphoserine,4TMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4266.2Standard polar33892256
1-Oleoylglycerophosphoserine,5TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3961.4Semi standard non polar33892256
1-Oleoylglycerophosphoserine,5TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3672.8Standard non polar33892256
1-Oleoylglycerophosphoserine,5TMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3999.0Standard polar33892256
1-Oleoylglycerophosphoserine,1TBDMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C4144.8Semi standard non polar33892256
1-Oleoylglycerophosphoserine,1TBDMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C4066.1Semi standard non polar33892256
1-Oleoylglycerophosphoserine,1TBDMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C4068.1Semi standard non polar33892256
1-Oleoylglycerophosphoserine,1TBDMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O4194.3Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TBDMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4235.1Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TBDMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4261.9Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TBDMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C4346.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TBDMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4200.5Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TBDMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4312.0Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TBDMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C4325.7Semi standard non polar33892256
1-Oleoylglycerophosphoserine,2TBDMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4519.5Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4402.7Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3913.8Standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #1CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5042.4Standard polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4480.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4035.8Standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #2CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4820.7Standard polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4498.9Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4008.4Standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #3CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4620.2Standard polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4765.0Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4058.0Standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #4CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4916.9Standard polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4456.6Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4005.2Standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #5CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4538.4Standard polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4700.0Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4050.4Standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #6CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4854.6Standard polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4705.3Semi standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4010.1Standard non polar33892256
1-Oleoylglycerophosphoserine,3TBDMS,isomer #7CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4653.4Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 10V, Positive-QTOFsplash10-000l-9021120000-8893ce7e0f1c1b50e2872019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 20V, Positive-QTOFsplash10-000f-9010100000-f5a8c6e1a96f7b19403b2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 40V, Positive-QTOFsplash10-000l-9031000000-f03b34047affde67ebf02019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 10V, Negative-QTOFsplash10-01x0-2190230000-f364254f19fba022c2c22019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 20V, Negative-QTOFsplash10-01si-5390100000-1d24708d2cb156228a702019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 40V, Negative-QTOFsplash10-004i-9010000000-43dd244597c961b1180c2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 10V, Negative-QTOFsplash10-0udr-0900720000-e724e45921843e717ed02021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 20V, Negative-QTOFsplash10-001i-2590220000-181531ab0c31e920f5622021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 40V, Negative-QTOFsplash10-003r-6090000000-d5d74f44952643cdb99b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 10V, Positive-QTOFsplash10-00di-0103190000-a30f484abe37a6a0ca352021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 20V, Positive-QTOFsplash10-000i-0009100000-25cbcc0997599dd2cf4b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Oleoylglycerophosphoserine 40V, Positive-QTOFsplash10-0ac3-9401000000-f07a72c3a2a230a5ea762021-09-24Wishart 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 Compound85036846
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. 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 ]
  3. 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 ]
  4. 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 ]
  5. Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
  6. Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.