
 lysophosphatidylserine

 83 82  0  0  0  0  0  0  0  0999 V2000
    0.2743    0.7123    0.0728 C   0  0  0  0  0
    1.7841    0.6543    0.2404 C   0  0  0  0  0
    2.4182    2.0369    0.0910 C   0  0  0  0  0
    3.9381    1.9701    0.2493 C   0  0  0  0  0
    4.5722    3.3558    0.1229 C   0  0  0  0  0
    6.0937    3.2862    0.2646 C   0  0  0  0  0
    6.7226    4.6756    0.1578 C   0  0  0  0  0
    8.2464    4.6124    0.2763 C   0  0  0  0  0
    8.8594    6.0098    0.1862 C   0  0  0  0  0
   10.3858    5.9665    0.2747 C   0  0  0  0  0
   10.9716    7.3766    0.1997 C   0  0  0  0  0
   12.4999    7.3643    0.2503 C   0  0  0  0  0
   13.0505    8.7890    0.1860 C   0  0  0  0  0
   14.5793    8.8137    0.1900 C   0  0  0  0  0
   15.0924   10.2527    0.1265 C   0  0  0  0  0
   16.6184   10.3152    0.0824 C   0  0  0  0  0
   17.0934   11.7607    0.0125 C   0  0  0  0  0
   18.5951   11.8336   -0.0721 C   0  0  0  0  0
   19.3531   11.5569    0.8468 O   0  0  0  0  0
   18.9834   12.2813   -1.2981 O   0  0  0  0  0
   20.3970   12.4417   -1.4909 C   0  0  0  0  0
   20.8245   13.9100   -1.3722 C   0  0  0  0  0
   20.4522   14.5380   -0.0237 C   0  0  0  0  0
   20.7708   15.9251   -0.0424 O   0  0  0  0  0
   20.3964   16.7571    1.2751 P   0  0  0  0  0
   19.0907   16.4146    1.9114 O   0  0  0  0  0
   21.6827   16.5036    2.1940 O   0  0  0  0  0
   20.5880   18.2935    0.8601 O   0  0  0  0  0
   20.1266   19.2644    1.7916 C   0  0  0  0  0
   20.2882   20.6694    1.2076 C   0  0  0  0  0
   19.2059   20.8897    0.1453 C   0  0  0  0  0
   19.2497   20.5458   -1.0248 O   0  0  0  0  0
   18.1014   21.5074    0.6256 O   0  0  0  0  0
   20.1878   21.6992    2.2755 N   0  0  0  0  0
   22.2401   14.0018   -1.5901 O   0  0  0  0  0
   -0.1586   -0.2860    0.1907 H   0  0  0  0  0
    0.0040    1.0846   -0.9206 H   0  0  0  0  0
   -0.1790    1.3698    0.8216 H   0  0  0  0  0
    2.2027   -0.0306   -0.5061 H   0  0  0  0  0
    2.0205    0.2418    1.2281 H   0  0  0  0  0
    1.9990    2.7164    0.8430 H   0  0  0  0  0
    2.1696    2.4517   -0.8935 H   0  0  0  0  0
    4.3573    1.3026   -0.5134 H   0  0  0  0  0
    4.1876    1.5410    1.2274 H   0  0  0  0  0
    4.1608    4.0191    0.8934 H   0  0  0  0  0
    4.3140    3.7915   -0.8500 H   0  0  0  0  0
    6.5057    2.6344   -0.5153 H   0  0  0  0  0
    6.3539    2.8390    1.2316 H   0  0  0  0  0
    6.3191    5.3217    0.9472 H   0  0  0  0  0
    6.4487    5.1299   -0.8022 H   0  0  0  0  0
    8.6516    3.9790   -0.5220 H   0  0  0  0  0
    8.5244    4.1495    1.2308 H   0  0  0  0  0
    8.4628    6.6355    0.9952 H   0  0  0  0  0
    8.5622    6.4799   -0.7594 H   0  0  0  0  0
   10.7853    5.3555   -0.5438 H   0  0  0  0  0
   10.6897    5.4901    1.2145 H   0  0  0  0  0
   10.5823    7.9777    1.0307 H   0  0  0  0  0
   10.6422    7.8600   -0.7284 H   0  0  0  0  0
   12.8919    6.7771   -0.5888 H   0  0  0  0  0
   12.8376    6.8787    1.1737 H   0  0  0  0  0
   12.6726    9.3651    1.0397 H   0  0  0  0  0
   12.6818    9.2820   -0.7222 H   0  0  0  0  0
   14.9595    8.2468   -0.6682 H   0  0  0  0  0
   14.9569    8.3256    1.0964 H   0  0  0  0  0
   14.7282   10.8090    0.9992 H   0  0  0  0  0
   14.6825   10.7471   -0.7631 H   0  0  0  0  0
   16.9902    9.7607   -0.7881 H   0  0  0  0  0
   17.0386    9.8267    0.9700 H   0  0  0  0  0
   16.7807   12.3271    0.8972 H   0  0  0  0  0
   16.6540   12.2682   -0.8544 H   0  0  0  0  0
   20.6265   12.0832   -2.5013 H   0  0  0  0  0
   20.9874   11.8043   -0.8206 H   0  0  0  0  0
   20.3452   14.4915   -2.1682 H   0  0  0  0  0
   21.0119   14.0660    0.7909 H   0  0  0  0  0
   19.3797   14.4390    0.1654 H   0  0  0  0  0
   22.4960   16.7562    1.7216 H   0  0  0  0  0
   20.7253   19.1604    2.7039 H   0  0  0  0  0
   19.0786   19.0623    2.0408 H   0  0  0  0  0
   21.2599   20.7810    0.7154 H   0  0  0  0  0
   17.5026   21.5448   -0.1512 H   0  0  0  0  0
   19.2095   21.7227    2.5817 H   0  0  0  0  0
   20.3330   22.6153    1.8476 H   0  0  0  0  0
   22.6898   13.6549   -0.8001 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  6  1  0  0  0
  5 45  1  0  0  0
  5 46  1  0  0  0
  6  7  1  0  0  0
  6 47  1  0  0  0
  6 48  1  0  0  0
  7  8  1  0  0  0
  7 49  1  0  0  0
  7 50  1  0  0  0
  8  9  1  0  0  0
  8 51  1  0  0  0
  8 52  1  0  0  0
  9 10  1  0  0  0
  9 53  1  0  0  0
  9 54  1  0  0  0
 10 11  1  0  0  0
 10 55  1  0  0  0
 10 56  1  0  0  0
 11 12  1  0  0  0
 11 57  1  0  0  0
 11 58  1  0  0  0
 12 13  1  0  0  0
 12 59  1  0  0  0
 12 60  1  0  0  0
 13 14  1  0  0  0
 13 61  1  0  0  0
 13 62  1  0  0  0
 14 15  1  0  0  0
 14 63  1  0  0  0
 14 64  1  0  0  0
 15 16  1  0  0  0
 15 65  1  0  0  0
 15 66  1  0  0  0
 16 17  1  0  0  0
 16 67  1  0  0  0
 16 68  1  0  0  0
 17 18  1  0  0  0
 17 69  1  0  0  0
 17 70  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 71  1  0  0  0
 21 72  1  0  0  0
 22 35  1  0  0  0
 22 23  1  0  0  0
 22 73  1  0  0  0
 23 24  1  0  0  0
 23 74  1  0  0  0
 23 75  1  0  0  0
 24 25  1  0  0  0
 25 28  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 76  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 77  1  0  0  0
 29 78  1  0  0  0
 30 34  1  0  0  0
 30 31  1  0  0  0
 30 79  1  0  0  0
 31 33  1  0  0  0
 31 32  2  0  0  0
 33 80  1  0  0  0
 34 81  1  0  0  0
 34 82  1  0  0  0
 35 83  1  0  0  0
M  END

>  <Chemical Name>
lysophosphatidylserine

>  <PubChem CID>
42607474

>  <Formula>
C24H48NO9P

>  <Molecular Weight>
525.620000

>  <IUPAC Name>
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropanoic acid

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O

>  <InChI Std. ID>
InChI=1S/C24H48NO9P/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/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1

>  <InChI Key>
ZPDQFUYPBVXUKS-YADHBBJMSA-N

