Ketcher 02211712202D 1 1.00000 0.00000 0 39 38 0 1 0 999 V2000 12.3720 -8.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3720 -9.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1138 -9.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5013 -9.7484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 -9.7484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 -10.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5013 -7.7374 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 -6.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1457 -6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0166 -6.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8874 -6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7582 -6.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6289 -6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3706 -5.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3706 -6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -6.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1124 -6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9831 -6.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 -5.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 -6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7248 -6.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4998 -6.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2795 -7.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 -8.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 -9.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2795 -9.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2795 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 -11.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1699 -12.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 -12.7449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1137 -12.2623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2429 -12.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3720 -12.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3720 -11.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5013 -10.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6304 -11.2567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2429 -13.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3720 -14.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1137 -14.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 4 1 1 0 0 2 5 1 0 0 0 5 3 1 0 0 0 5 6 2 0 0 0 1 7 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 22 1 0 0 0 22 15 1 0 0 0 15 14 1 1 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 20 1 0 0 0 20 19 2 0 0 0 20 21 1 0 0 0 8 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 22 7 1 6 0 0 32 31 1 6 0 0 32 33 1 0 0 0 32 37 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 2 0 0 0 35 4 1 0 0 0 37 38 2 0 0 0 37 39 1 0 0 0 M END > CHEBI:27491 > leukotriene F4 > A leukotriene composed of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid having (5S)-hydroxy and (6R)-(L-γ-glutamyl-L-cystein-S-yl) substituents. > 3 > CHEBI:25028; CHEBI:6425 > LTF4; Leukotriene F4; Leukotriene F-4; L-gamma-glutamyl-S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine; 5(S)-Hydroxy-6(R)-S-gamma-glutamylcysteine-7,9-trans-11,14-cis-eicosatetraenoic acid > L-gamma-glutamyl-S-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]-L-cysteine > C28H44N2O8S > 568.725 > 568.28184 > 0 > C([C@H](NC(CC[C@H](N)C(=O)O)=O)C(O)=O)S[C@H](\C=C\C=C\C=C/C/C=C\CCCCC)[C@@H](O)CCCC(=O)O > InChI=1S/C28H44N2O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(31)15-14-17-26(33)34)39-20-22(28(37)38)30-25(32)19-18-21(29)27(35)36/h6-7,9-13,16,21-24,31H,2-5,8,14-15,17-20,29H2,1H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1 > PYSODLWHFWCFLV-VJBFNVCUSA-N > 83851-42-7 > 5676121 > 83851-42-7 > C06462 > LMFA03020009 > 12729612; 1609121; 1675639; 1850146; 20201353; 2981933; 2994174; 3923570; 6300970; 6322240; 8171072 $$$$