5281969
  -OEChem-05302104262D

 62 61  0     0  0  0  0  0  0999 V2000
    6.0010   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.2151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    0.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191   -0.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206   -0.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    1.2977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    0.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 25  1  0  0  0  0
  2 62  1  0  0  0  0
  3 15  1  0  0  0  0
  3 19  1  0  0  0  0
  3 51  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  7  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  0  0  0  0
  7 12  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 14  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 15  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  2  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 17  2  0  0  0  0
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 16 20  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
 18 22  1  0  0  0  0
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 19 25  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 23  2  0  0  0  0
 20 54  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 24  2  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 24 59  1  0  0  0  0
 25 60  1  0  0  0  0
 25 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5281969

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
408

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACADhgAYCAALAAgCIACFSEAAAAAAgAAAICIEIAAgCEBIAgQAEAAAAlgCYAAMYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)eicosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>,8<I>Z</I>,11<I>Z</I>,14<I>Z</I>)-<I>N</I>-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_NAME>
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)eicosa-5,8,11,14-tetraenamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-

> <PUBCHEM_IUPAC_INCHIKEY>
LGEQQWMQCRIYKG-DOFZRALJSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
347.282429423

> <PUBCHEM_MOLECULAR_FORMULA>
C22H37NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
347.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.282429423

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
