
 (2S)-OMPT

 73 72  0  0  0  0  0  0  0  0999 V2000
   12.4057   -4.3163    2.3971 C   0  0  0  0  0
   11.3239   -3.4011    1.8462 C   0  0  0  0  0
   11.6631   -1.9298    2.0810 C   0  0  0  0  0
   10.5678   -1.0127    1.5347 C   0  0  0  0  0
   10.9260    0.4591    1.7400 C   0  0  0  0  0
    9.8394    1.3819    1.1859 C   0  0  0  0  0
   10.2306    2.8496    1.3568 C   0  0  0  0  0
    9.1821    3.7878    0.7569 C   0  0  0  0  0
    9.6314    5.2151    0.8814 C   0  0  0  0  0
   10.0727    5.9468   -0.1533 C   0  0  0  0  0
   10.5977    7.3467   -0.0208 C   0  0  0  0  0
   12.1169    7.3616   -0.1997 C   0  0  0  0  0
   12.6851    8.7729   -0.0586 C   0  0  0  0  0
   14.2094    8.7687   -0.1869 C   0  0  0  0  0
   14.7756   10.1822   -0.0640 C   0  0  0  0  0
   16.3004   10.1889   -0.1741 C   0  0  0  0  0
   16.8414   11.6101   -0.0850 C   0  0  0  0  0
   18.3458   11.6236   -0.1637 C   0  0  0  0  0
   19.0853   11.1343    0.6766 O   0  0  0  0  0
   18.7566   12.2976   -1.2747 O   0  0  0  0  0
   20.1752   12.4657   -1.4336 C   0  0  0  0  0
   20.5765   13.9344   -1.2241 C   0  0  0  0  0
   20.2884   14.3895    0.2158 C   0  0  0  0  0
   20.2842   15.8162    0.2832 O   0  0  0  0  0
   19.9184   16.5037    1.6894 P   0  0  0  0  0
   18.2274   16.0946    2.4992 S   0  0  0  0  0
   21.2267   16.2028    2.5600 O   0  0  0  0  0
   20.1526   18.0497    1.3415 O   0  0  0  0  0
   21.9795   14.0280   -1.5312 O   0  0  0  0  0
   22.4272   15.3471   -1.8060 C   0  0  0  0  0
   12.1478   -5.3633    2.2097 H   0  0  0  0  0
   12.5194   -4.1823    3.4775 H   0  0  0  0  0
   13.3708   -4.1136    1.9220 H   0  0  0  0  0
   10.3681   -3.6448    2.3244 H   0  0  0  0  0
   11.2070   -3.5887    0.7724 H   0  0  0  0  0
   12.6179   -1.6922    1.5963 H   0  0  0  0  0
   11.7923   -1.7477    3.1550 H   0  0  0  0  0
    9.6178   -1.2342    2.0357 H   0  0  0  0  0
   10.4236   -1.2091    0.4652 H   0  0  0  0  0
   11.8792    0.6751    1.2419 H   0  0  0  0  0
   11.0683    0.6591    2.8091 H   0  0  0  0  0
    8.8906    1.1897    1.7012 H   0  0  0  0  0
    9.6814    1.1652    0.1224 H   0  0  0  0  0
   11.2001    3.0241    0.8723 H   0  0  0  0  0
   10.3631    3.0727    2.4233 H   0  0  0  0  0
    8.2241    3.6695    1.2761 H   0  0  0  0  0
    9.0078    3.5286   -0.2946 H   0  0  0  0  0
    9.6238    5.6416    1.8824 H   0  0  0  0  0
   10.0964    5.5130   -1.1512 H   0  0  0  0  0
   10.3338    7.7690    0.9566 H   0  0  0  0  0
   10.1193    7.9775   -0.7791 H   0  0  0  0  0
   12.3803    6.9583   -1.1859 H   0  0  0  0  0
   12.5821    6.7058    0.5476 H   0  0  0  0  0
   12.4010    9.1893    0.9156 H   0  0  0  0  0
   12.2502    9.4222   -0.8280 H   0  0  0  0  0
   14.4973    8.3395   -1.1546 H   0  0  0  0  0
   14.6424    8.1292    0.5921 H   0  0  0  0  0
   14.4771   10.6150    0.8986 H   0  0  0  0  0
   14.3475   10.8163   -0.8497 H   0  0  0  0  0
   16.6103    9.7359   -1.1238 H   0  0  0  0  0
   16.7330    9.5727    0.6238 H   0  0  0  0  0
   16.5544   12.0890    0.8580 H   0  0  0  0  0
   16.4241   12.2244   -0.8912 H   0  0  0  0  0
   20.4189   12.1687   -2.4606 H   0  0  0  0  0
   20.7641   11.8024   -0.7883 H   0  0  0  0  0
   20.0070   14.5566   -1.9266 H   0  0  0  0  0
   21.0540   14.0099    0.9006 H   0  0  0  0  0
   19.3069   14.0410    0.5417 H   0  0  0  0  0
   22.0725   16.4008    2.1277 H   0  0  0  0  0
   20.9506   18.2385    0.8227 H   0  0  0  0  0
   23.4415   15.2826   -2.2087 H   0  0  0  0  0
   22.4707   15.9401   -0.8895 H   0  0  0  0  0
   21.7902   15.8344   -2.5497 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  2  0  0  0
  9 48  1  0  0  0
 10 11  1  0  0  0
 10 49  1  0  0  0
 11 12  1  0  0  0
 11 50  1  0  0  0
 11 51  1  0  0  0
 12 13  1  0  0  0
 12 52  1  0  0  0
 12 53  1  0  0  0
 13 14  1  0  0  0
 13 54  1  0  0  0
 13 55  1  0  0  0
 14 15  1  0  0  0
 14 56  1  0  0  0
 14 57  1  0  0  0
 15 16  1  0  0  0
 15 58  1  0  0  0
 15 59  1  0  0  0
 16 17  1  0  0  0
 16 60  1  0  0  0
 16 61  1  0  0  0
 17 18  1  0  0  0
 17 62  1  0  0  0
 17 63  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 64  1  0  0  0
 21 65  1  0  0  0
 22 29  1  0  0  0
 22 23  1  0  0  0
 22 66  1  0  0  0
 23 24  1  0  0  0
 23 67  1  0  0  0
 23 68  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 69  1  0  0  0
 28 70  1  0  0  0
 29 30  1  0  0  0
 30 71  1  0  0  0
 30 72  1  0  0  0
 30 73  1  0  0  0
M  END

>  <Chemical Name>
(2S)-OMPT

>  <PubChem CID>
16078994

>  <Formula>
C22H43O6PS

>  <Molecular Weight>
466.614000

>  <IUPAC Name>
[(2S)-3-dihydroxyphosphinothioyloxy-2-methoxypropyl] (Z)-octadec-9-enoate

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=S)(O)O)OC

>  <Isomeric SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=S)(O)O)OC

>  <InChI Std. ID>
InChI=1S/C22H43O6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)27-19-21(26-2)20-28-29(24,25)30/h10-11,21H,3-9,12-20H2,1-2H3,(H2,24,25,30)/b11-10-/t21-/m0/s1

>  <InChI Key>
FCVJYKICQNLXAX-XPTLAUCJSA-N

