Marvin  07210614142D          

 26 25  0  0  0  0            999 V2000
    4.5312    1.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2457    0.3688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8168    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1023    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8990    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0424    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4713    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1858    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9003    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6148    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3292    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0437    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2444    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734    1.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4700   -0.4562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135    1.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7569    0.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7569   -0.4562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 19  1  0  0  0  0
 19  7  2  0  0  0  0
  7 16  1  0  0  0  0
 16 21  1  0  0  0  0
 21 17  2  0  0  0  0
 17  8  1  0  0  0  0
  8 23  1  0  0  0  0
 23 18  2  0  0  0  0
 18  9  1  0  0  0  0
  9 25  1  0  0  0  0
 25 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 19 20  1  4  0  0  0
 21 22  1  4  0  0  0
 23 24  1  4  0  0  0
 25 26  1  4  0  0  0
M  END
> <ID>
CHEBI:36306

> <NAME>
icosa-5,8,11,14-tetraenoic acid

> <DEFINITION>
Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.

> <STAR>
3

> <SYNONYM>
icosa-5,8,11,14-tetraenoic acids; eicosa-5,8,11,14-tetraenoic acids; eicosa-5,8,11,14-tetraenoic acid; C20:4, n-6,9,12,15; 5,8,11,14-icosatetraenoic acids; 5,8,11,14-icosatetraenoic acid; 5,8,11,14-eicosatetraenoic acids; 5,8,11,14-eicosatetraenoic acid; 5,8,11,14-20:4

> <IUPAC_NAME>
icosa-5,8,11,14-tetraenoic acid

> <FORMULA>
C20H32O2

> <MASS>
304.46688

> <MONOISOTOPIC_MASS>
304.24023

> <CHARGE>
0

> <SMILES>
[H]C(CCCC(O)=O)=CCC([H])=CCC([H])=CCC([H])=CCCCCC

> <INCHI>
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)

> <INCHIKEY>
YZXBAPSDXZZRGB-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-6527

$$$$