Ketcher 08091714522D 1 1.00000 0.00000 0 31 30 0 1 0 999 V2000 7.1711 -70.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 -71.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1711 -69.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0429 -69.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9148 -69.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 -69.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6588 -69.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 -69.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 -68.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2746 -69.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1467 -69.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0188 -69.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8908 -69.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7627 -68.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7627 -69.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6346 -69.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 -71.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7840 -71.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6558 -71.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6558 -72.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7837 -73.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4029 -69.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2749 -71.4287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2749 -72.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4030 -72.9392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1470 -72.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8274 -72.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1470 -73.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7839 -74.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4030 -70.9254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.5066 -69.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 17 2 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 22 1 0 0 0 10 9 1 1 0 0 22 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 15 1 0 0 0 15 14 2 0 0 0 15 16 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 29 1 0 0 0 23 24 1 0 0 0 24 25 1 1 0 0 24 26 1 0 0 0 26 28 2 0 0 0 26 27 1 0 0 0 3 1 1 0 0 0 22 30 1 6 0 0 23 30 1 0 0 0 16 31 1 0 0 0 M END > CHEBI:138126 > leukotriene E4 methyl ester > The methyl ester of leukotriene E4, the esterified acid group being the one forming position 1 of the icosatetraenyl chain. Leukotriene E4 methyl ester is a more lipid-soluble form of leukotriene E4. > 3 > LTE4, methyl ester; LTE4 methyl ester; leukotriene E4 monomethyl ester > S-{(6Z,9Z,11E,13E,15S,16R)-16-hydroxy-20-methoxy-20-oxoicosa-6,9,11,13-tetraen-15-yl}-L-cysteine; (2R)-2-amino-3-{[(5S,6R,7E,9E,11Z,14Z)-5-hydroxy-1-methoxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulfanyl}propanoic acid > C24H39NO5S > 453.637 > 453.25489 > 0 > C(/C=C\CCCCC)/C=C\C=C\C=C\[C@H]([C@@H](O)CCCC(=O)OC)SC[C@H](N)C(=O)O > InChI=1S/C24H39NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22(31-19-20(25)24(28)29)21(26)16-15-18-23(27)30-2/h7-8,10-14,17,20-22,26H,3-6,9,15-16,18-19,25H2,1-2H3,(H,28,29)/b8-7-,11-10-,13-12+,17-14+/t20-,21-,22+/m0/s1 > FIXJQRIEAIDXEN-KLWHAKNWSA-N > 5149784 > 28507038 $$$$