Ketcher 08301716022D 1 1.00000 0.00000 0 23 22 0 0 0 999 V2000 18.3640 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4919 -3.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6202 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7480 -3.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8762 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8693 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 -3.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1253 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1185 -3.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4066 -4.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1185 -4.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1253 -4.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 -4.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8693 -4.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8762 -4.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3640 -2.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2393 -3.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7365 -4.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5967 -4.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4569 -4.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3171 -4.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1773 -4.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5683 -5.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 2 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 10 11 1 0 0 0 1 16 2 0 0 0 1 17 1 0 0 0 18 15 1 0 0 0 19 18 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 11 23 1 1 0 0 M CHG 1 17 -1 M END > CHEBI:137567 > 11(S)-HETE(1-) > An 11-HETE(1−) that is the conjugate base of 11(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. > 3 > 11(S)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoate; 11(S)-hydroxy-(5Z,8Z,12E,14Z)-eicosatetraenoate; (5Z,8Z,11S,12E,14Z)-11-hydroxyeicosatetraenoate; (11S)-HETE(1-) > (5Z,8Z,11S,12E,14Z)-11-hydroxyicosa-5,8,12,14-tetraenoate > C20H31O3 > 319.459 > 319.22787 > -1 > C(CCC/C=C\C/C=C\C[C@@H](/C=C/C=C\CCCCC)O)(=O)[O-] > InChI=1S/C20H32O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/p-1/b9-6-,10-7-,14-11-,16-13+/t19-/m1/s1 > GCZRCCHPLVMMJE-YZGNWCGPSA-M > 9822682 $$$$