Ketcher 08081716372D 1   1.00000     0.00000     0

 23 22  0     1  0            999 V2000
   11.5046   -2.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7761   -3.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9128   -3.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0477   -3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1843   -3.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863   -4.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3231   -5.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3249   -6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1903   -6.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1924   -7.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0578   -8.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9209   -7.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7863   -8.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6497   -7.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6475   -6.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5106   -6.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5046   -3.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6413   -3.6512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3694   -3.6485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3757   -6.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2394   -6.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1045   -6.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7821   -6.1478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17  1  2  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 17 18  1  0     0  0
 18  2  1  0     0  0
 17 19  1  0     0  0
 16 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 15 23  1  0     0  0
M  END
> <ID>
CHEBI:63994

> <NAME>
16-HETE

> <DEFINITION>
A HETE that consists of arachidonic acid bearing an additional hydroxy substituent at position 16.

> <STAR>
3

> <SYNONYM>
16-hydroxyarachidonic acid; 16-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid; (all-cis)-16-hydroxy-5,8,11,14-icosatetraenoic acid; (all-cis)-16-hydroxy-5,8,11,14-eicosatetraenoic acid; (5Z,8Z,11Z,14Z)-16-hydroxyeicosa-5,8,11,14-tetraenoic acid

> <IUPAC_NAME>
(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid

> <FORMULA>
C20H32O3

> <MASS>
320.467

> <MONOISOTOPIC_MASS>
320.23514

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-

> <INCHIKEY>
JEKNPVYFNMZRJG-UFINWASNSA-N

> <CAS_REGISTRY_NUMBER>
128914-46-5

> <REAXYS_REGISTRY_NUMBER>
9285734

> <CHEMIDPLUS>
128914-46-5

$$$$