
 Adrenoyl-ethanolamine

 68 67  0  0  0  0  0  0  0  0999 V2000
   16.2264   -0.6063   -3.1241 C   0  0  0  0  0
   14.9654    0.0762   -2.6196 C   0  0  0  0  0
   14.1499    0.6713   -3.7676 C   0  0  0  0  0
   12.8911    1.3665   -3.2467 C   0  0  0  0  0
   12.0828    1.9899   -4.3856 C   0  0  0  0  0
   10.8727    2.7039   -3.8542 C   0  0  0  0  0
   10.7914    4.0401   -3.7535 C   0  0  0  0  0
    9.6139    4.7870   -3.2003 C   0  0  0  0  0
    9.9146    5.3078   -1.8251 C   0  0  0  0  0
   10.3125    6.5638   -1.5635 C   0  0  0  0  0
   10.6438    7.0772   -0.1930 C   0  0  0  0  0
   12.1291    7.1248    0.0144 C   0  0  0  0  0
   12.8630    8.2495   -0.0045 C   0  0  0  0  0
   14.3533    8.2841    0.1718 C   0  0  0  0  0
   15.0382    8.4212   -1.1557 C   0  0  0  0  0
   15.6578    9.5300   -1.5869 C   0  0  0  0  0
   16.3007    9.6388   -2.9395 C   0  0  0  0  0
   15.4379   10.4769   -3.8835 C   0  0  0  0  0
   16.0566   10.5599   -5.2792 C   0  0  0  0  0
   15.1826   11.3884   -6.2204 C   0  0  0  0  0
   15.8080   11.4953   -7.6083 C   0  0  0  0  0
   15.1078   12.5489   -8.4375 C   0  0  0  0  0
   14.2353   12.2568   -9.2535 O   0  0  0  0  0
   15.4238   13.8626   -8.2436 N   0  0  0  0  0
   16.5120   14.4158   -7.4597 C   0  0  0  0  0
   17.8168   14.5166   -8.2500 C   0  0  0  0  0
   18.8525   15.0531   -7.4354 O   0  0  0  0  0
   16.7910   -1.0257   -2.2854 H   0  0  0  0  0
   16.8741    0.1040   -3.6479 H   0  0  0  0  0
   15.9828   -1.4222   -3.8119 H   0  0  0  0  0
   15.2441    0.8664   -1.9125 H   0  0  0  0  0
   14.3575   -0.6513   -2.0695 H   0  0  0  0  0
   13.8687   -0.1215   -4.4713 H   0  0  0  0  0
   14.7660    1.3912   -4.3202 H   0  0  0  0  0
   13.1787    2.1461   -2.5293 H   0  0  0  0  0
   12.2705    0.6440   -2.7018 H   0  0  0  0  0
   11.7541    1.2135   -5.0866 H   0  0  0  0  0
   12.7162    2.6803   -4.9562 H   0  0  0  0  0
   10.0431    2.0829   -3.5230 H   0  0  0  0  0
   11.6333    4.6537   -4.0698 H   0  0  0  0  0
    8.7251    4.1468   -3.1500 H   0  0  0  0  0
    9.3625    5.6066   -3.8841 H   0  0  0  0  0
    9.8207    4.5917   -1.0113 H   0  0  0  0  0
   10.4349    7.2708   -2.3818 H   0  0  0  0  0
   10.2000    6.4426    0.5833 H   0  0  0  0  0
   10.1949    8.0702   -0.0705 H   0  0  0  0  0
   12.6201    6.1653    0.1662 H   0  0  0  0  0
   12.3787    9.2072   -0.1827 H   0  0  0  0  0
   14.7127    7.3708    0.6610 H   0  0  0  0  0
   14.6115    9.1137    0.8406 H   0  0  0  0  0
   14.9934    7.5455   -1.8020 H   0  0  0  0  0
   15.6925   10.4144   -0.9541 H   0  0  0  0  0
   16.4624    8.6430   -3.3702 H   0  0  0  0  0
   17.2906   10.0959   -2.8240 H   0  0  0  0  0
   15.3153   11.4881   -3.4748 H   0  0  0  0  0
   14.4345   10.0381   -3.9570 H   0  0  0  0  0
   16.1849    9.5509   -5.6894 H   0  0  0  0  0
   17.0537   11.0116   -5.2092 H   0  0  0  0  0
   15.0214   12.3829   -5.7886 H   0  0  0  0  0
   14.1893   10.9299   -6.3075 H   0  0  0  0  0
   15.7297   10.5361   -8.1340 H   0  0  0  0  0
   16.8764   11.7252   -7.5510 H   0  0  0  0  0
   14.9023   14.4865   -8.8494 H   0  0  0  0  0
   16.6717   13.8228   -6.5543 H   0  0  0  0  0
   16.2008   15.4122   -7.1271 H   0  0  0  0  0
   17.6957   15.1545   -9.1319 H   0  0  0  0  0
   18.1384   13.5301   -8.5976 H   0  0  0  0  0
   18.6439   15.9881   -7.2661 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 11 45  1  0  0  0
 11 46  1  0  0  0
 12 13  2  0  0  0
 12 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 14 50  1  0  0  0
 15 16  2  0  0  0
 15 51  1  0  0  0
 16 17  1  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 19  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 20  1  0  0  0
 19 57  1  0  0  0
 19 58  1  0  0  0
 20 21  1  0  0  0
 20 59  1  0  0  0
 20 60  1  0  0  0
 21 22  1  0  0  0
 21 61  1  0  0  0
 21 62  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 63  1  0  0  0
 25 26  1  0  0  0
 25 64  1  0  0  0
 25 65  1  0  0  0
 26 27  1  0  0  0
 26 66  1  0  0  0
 26 67  1  0  0  0
 27 68  1  0  0  0
M  END

>  <Chemical Name>
Adrenoyl-ethanolamine

>  <PubChem CID>
5282273

>  <Formula>
C24H41NO2

>  <Molecular Weight>
375.597000

>  <IUPAC Name>
(7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-7,10,13,16-tetraenamide

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)NCCO

>  <Isomeric SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCO

>  <InChI Std. ID>
InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-

>  <InChI Key>
FMVHVRYFQIXOAF-DOFZRALJSA-N

