
 N-arachidonylglycine

 61 60  0  0  0  0  0  0  0  0999 V2000
   15.7644   -0.3707   -4.2037 C   0  0  0  0  0
   14.5557    0.3262   -3.6004 C   0  0  0  0  0
   13.7971    1.1420   -4.6472 C   0  0  0  0  0
   12.5887    1.8467   -4.0286 C   0  0  0  0  0
   11.8547    2.7073   -5.0581 C   0  0  0  0  0
   10.6894    3.4168   -4.4296 C   0  0  0  0  0
   10.7032    4.7220   -4.1153 C   0  0  0  0  0
    9.5706    5.4562   -3.4605 C   0  0  0  0  0
    9.8801    5.7264   -2.0169 C   0  0  0  0  0
   10.3286    6.9025   -1.5482 C   0  0  0  0  0
   10.6781    7.1612   -0.1119 C   0  0  0  0  0
   12.1640    7.1050    0.0882 C   0  0  0  0  0
   12.9510    8.1828    0.2383 C   0  0  0  0  0
   14.4437    8.1195    0.3776 C   0  0  0  0  0
   15.1021    8.4034   -0.9399 C   0  0  0  0  0
   15.7369    9.5454   -1.2454 C   0  0  0  0  0
   16.3447    9.8153   -2.5907 C   0  0  0  0  0
   15.5231   10.8504   -3.3569 C   0  0  0  0  0
   16.1480   11.1526   -4.7145 C   0  0  0  0  0
   15.4495   12.3150   -5.3805 C   0  0  0  0  0
   14.5825   12.1453   -6.2364 O   0  0  0  0  0
   15.7515   13.5869   -4.9914 N   0  0  0  0  0
   16.8504   14.0324   -4.1493 C   0  0  0  0  0
   18.1051   14.2531   -4.9765 C   0  0  0  0  0
   18.6821   13.4197   -5.6576 O   0  0  0  0  0
   18.5374   15.5292   -4.9483 O   0  0  0  0  0
   16.2920   -0.9456   -3.4362 H   0  0  0  0  0
   16.4661    0.3560   -4.6255 H   0  0  0  0  0
   15.4635   -1.0604   -4.9985 H   0  0  0  0  0
   14.8891    0.9823   -2.7877 H   0  0  0  0  0
   13.8900   -0.4243   -3.1586 H   0  0  0  0  0
   13.4634    0.4840   -5.4587 H   0  0  0  0  0
   14.4706    1.8860   -5.0897 H   0  0  0  0  0
   12.9237    2.4767   -3.1944 H   0  0  0  0  0
   11.9026    1.0998   -3.6094 H   0  0  0  0  0
   11.4852    2.0830   -5.8803 H   0  0  0  0  0
   12.5509    3.4302   -5.5012 H   0  0  0  0  0
    9.8094    2.8155   -4.2118 H   0  0  0  0  0
   11.5940    5.3137   -4.3203 H   0  0  0  0  0
    8.6378    4.8831   -3.5210 H   0  0  0  0  0
    9.3931    6.3906   -4.0066 H   0  0  0  0  0
    9.7511    4.8884   -1.3350 H   0  0  0  0  0
   10.4869    7.7311   -2.2361 H   0  0  0  0  0
   10.2046    6.4252    0.5489 H   0  0  0  0  0
   10.2761    8.1389    0.1792 H   0  0  0  0  0
   12.6104    6.1123    0.0714 H   0  0  0  0  0
   12.5114    9.1779    0.2229 H   0  0  0  0  0
   14.7656    7.1318    0.7289 H   0  0  0  0  0
   14.7596    8.8369    1.1444 H   0  0  0  0  0
   15.0185    7.6176   -1.6891 H   0  0  0  0  0
   15.8071   10.3395   -0.5052 H   0  0  0  0  0
   16.4192    8.8921   -3.1782 H   0  0  0  0  0
   17.3682   10.1796   -2.4427 H   0  0  0  0  0
   15.4284   11.7665   -2.7614 H   0  0  0  0  0
   14.4998   10.4811   -3.5076 H   0  0  0  0  0
   16.0624   10.2810   -5.3745 H   0  0  0  0  0
   17.2176   11.3645   -4.6247 H   0  0  0  0  0
   15.2633   14.2854   -5.5393 H   0  0  0  0  0
   17.0733   13.3105   -3.3598 H   0  0  0  0  0
   16.5403   14.9715   -3.6810 H   0  0  0  0  0
   19.2964   15.5361   -5.5704 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  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
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 14 15  1  0  0  0
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 23 24  1  0  0  0
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 26 61  1  0  0  0
M  END

>  <Chemical Name>
N-arachidonylglycine

>  <PubChem CID>
5283389

>  <Formula>
C22H35NO3

>  <Molecular Weight>
361.526000

>  <IUPAC Name>
2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O

>  <InChI Std. ID>
InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-

>  <InChI Key>
YLEARPUNMCCKMP-DOFZRALJSA-N

