
 [(5Z,8R,9S,11R,12R,13E,15S)-9,11,15-Trihydroxy-1-norprosta-5,13-diene-2-yl]phosphinic acid

 60 60  0  0  0  0  0  0  0  0999 V2000
    8.9220   -2.8479    5.0278 C   0  0  0  0  0
    9.1887   -1.7774    3.9816 C   0  0  0  0  0
    7.8928   -1.1132    3.5171 C   0  0  0  0  0
    8.1620   -0.0612    2.4386 C   0  0  0  0  0
    6.8589    0.5810    1.9563 C   0  0  0  0  0
    7.0512    1.6191    0.8400 C   0  0  0  0  0
    7.6781    1.0297   -0.3984 C   0  0  0  0  0
    7.0265    0.4810   -1.4391 C   0  0  0  0  0
    7.6323   -0.1551   -2.6718 C   0  0  0  0  0
    9.1647   -0.3426   -2.7209 C   0  0  0  0  0
    9.3339   -1.1900   -3.9727 C   0  0  0  0  0
    8.1893   -2.2088   -3.8864 C   0  0  0  0  0
    7.1160   -1.5929   -2.9474 C   0  0  0  0  0
    5.6655   -1.6353   -3.4493 C   0  0  0  0  0
    5.1231   -3.0350   -3.5194 C   0  0  0  0  0
    4.2681   -3.5532   -2.6244 C   0  0  0  0  0
    3.7302   -4.9516   -2.7094 C   0  0  0  0  0
    4.4254   -5.8696   -1.7066 C   0  0  0  0  0
    3.9208   -7.3027   -1.8211 C   0  0  0  0  0
    4.7859   -8.4387   -0.7041 P   0  0  0  0  0
    6.1782   -8.2202   -0.6590 H   0  0  0  0  0
    4.2861   -7.8714    0.7320 O   0  0  0  0  0
    4.2062   -9.8197   -0.8460 O   0  0  0  0  0
    7.7213   -2.5300   -5.1876 O   0  0  0  0  0
    9.6914   -1.0982   -1.6299 O   0  0  0  0  0
    5.7914    2.1994    0.5156 O   0  0  0  0  0
    9.8625   -3.3058    5.3497 H   0  0  0  0  0
    8.2804   -3.6382    4.6252 H   0  0  0  0  0
    8.4315   -2.4223    5.9092 H   0  0  0  0  0
    9.7015   -2.2328    3.1266 H   0  0  0  0  0
    9.8639   -1.0228    4.4009 H   0  0  0  0  0
    7.3903   -0.6452    4.3726 H   0  0  0  0  0
    7.2126   -1.8771    3.1211 H   0  0  0  0  0
    8.6813   -0.5403    1.6010 H   0  0  0  0  0
    8.8290    0.7144    2.8340 H   0  0  0  0  0
    6.3514    1.0637    2.8020 H   0  0  0  0  0
    6.1688   -0.2017    1.6128 H   0  0  0  0  0
    7.6871    2.4367    1.1971 H   0  0  0  0  0
    8.7659    1.0667   -0.3962 H   0  0  0  0  0
    5.9384    0.4975   -1.4218 H   0  0  0  0  0
    7.3449    0.4823   -3.5210 H   0  0  0  0  0
    9.7054    0.6057   -2.7864 H   0  0  0  0  0
    9.2427   -0.5730   -4.8747 H   0  0  0  0  0
   10.3026   -1.6995   -4.0113 H   0  0  0  0  0
    8.5550   -3.1392   -3.4385 H   0  0  0  0  0
    7.1613   -2.1449   -1.9959 H   0  0  0  0  0
    5.5842   -1.1705   -4.4395 H   0  0  0  0  0
    5.0240   -1.0394   -2.7903 H   0  0  0  0  0
    5.4649   -3.6451   -4.3552 H   0  0  0  0  0
    3.9312   -2.9522   -1.7801 H   0  0  0  0  0
    3.8533   -5.3481   -3.7253 H   0  0  0  0  0
    2.6521   -4.9256   -2.5127 H   0  0  0  0  0
    4.2670   -5.5047   -0.6849 H   0  0  0  0  0
    5.5103   -5.8607   -1.8738 H   0  0  0  0  0
    4.0769   -7.6686   -2.8422 H   0  0  0  0  0
    2.8469   -7.3500   -1.6122 H   0  0  0  0  0
    3.4178   -8.2483    0.9808 H   0  0  0  0  0
    7.5082   -1.7081   -5.6573 H   0  0  0  0  0
    9.0546   -1.0805   -0.8969 H   0  0  0  0  0
    5.1383    1.4828    0.4680 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 26  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 12 45  1  0  0  0
 13 14  1  0  0  0
 13 46  1  0  0  0
 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 16  2  0  0  0
 15 49  1  0  0  0
 16 17  1  0  0  0
 16 50  1  0  0  0
 17 18  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 18 19  1  0  0  0
 18 53  1  0  0  0
 18 54  1  0  0  0
 19 20  1  0  0  0
 19 55  1  0  0  0
 19 56  1  0  0  0
 20 23  1  0  0  0
 20 22  1  0  0  0
 20 21  1  0  0  0
 22 57  1  0  0  0
 24 58  1  0  0  0
 25 59  1  0  0  0
 26 60  1  0  0  0
M  CHG  2  20   1  23  -1
M  END

>  <Chemical Name>
[(5Z,8R,9S,11R,12R,13E,15S)-9,11,15-Trihydroxy-1-norprosta-5,13-diene-2-yl]phosphinic acid

>  <PubChem CID>
102305175

>  <Formula>
C19H35O5P

>  <Molecular Weight>
374.458000

>  <IUPAC Name>
[(Z)-6-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hex-4-enyl]phosphinic acid

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCC(C=CC1C(CC(C1CC=CCCC[PH+](O)[O-])O)O)O

>  <Isomeric SMILES>
CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCC[PH+](O)[O-])O)O)O

>  <InChI Std. ID>
InChI=1S/C19H35O5P/c1-2-3-6-9-15(20)11-12-17-16(18(21)14-19(17)22)10-7-4-5-8-13-25(23)24/h4,7,11-12,15-22,25H,2-3,5-6,8-10,13-14H2,1H3,(H,23,24)/b7-4-,12-11+/t15-,16+,17+,18-,19+/m0/s1

>  <InChI Key>
AVGLHCULUVOTRL-LYDKCQJDSA-N

