Mrv0541 09011411182D          

 22 21  0  0  0  0            999 V2000
    6.2985  -10.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9585   -9.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7010  -10.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023   -9.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023   -8.8637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5701   -9.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8687  -10.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8687  -10.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543  -11.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399  -10.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4398  -10.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -9.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -8.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4398   -8.4765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4398   -7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1543   -7.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8687   -7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5831   -7.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2977   -7.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1035  -10.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2977   -8.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0123   -8.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 20  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:82835

> <NAME>
(5Z,11Z,14Z,17Z)-icosatetraenoic acid

> <DEFINITION>
An icosatetraenoic acid in which the four double bonds have Z configuration and are located at positions 5, 11, 14 and 17.

> <STAR>
3

> <SYNONYM>
Juniperonic acid; C20:4n-3,6,9,15; all-cis-5,11,14,17-icosatetraenoic acid; all-cis-5,11,14,17-eicosatetraenoic acid; 5Z,11Z,14Z,17Z-eicosatetraenoic acid; (5Z,11Z,14Z,17Z)-eicosatetraenoic acid

> <FORMULA>
C20H32O2

> <MASS>
304.46690

> <MONOISOTOPIC_MASS>
304.24023

> <CHARGE>
0

> <SMILES>
CC\C=C/C\C=C/C\C=C/CCCC\C=C/CCCC(O)=O

> <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/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-

> <INCHIKEY>
JDKIKEYFSJUYJZ-OUJQXAOTSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01030394

> <PUBMED_CITATION>
17451430; 18758077; 22908582; 24659112

$$$$