Marvin 06050711102D 44 43 0 0 1 0 999 V2000 -0.0628 -5.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 -4.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -4.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -3.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 -1.8906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0628 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -1.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -2.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 -1.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -2.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2063 -1.8906 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2063 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 -0.6531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3497 -0.6531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0641 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7786 0.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7786 -0.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4931 -1.0656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 -1.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 -1.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 -6.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 -5.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0806 -6.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -5.6031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7950 -4.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5095 -6.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -5.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9385 -6.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 -5.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3674 -6.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -2.3031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2062 1.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2062 0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 0.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7773 0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 -0.6531 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 0.1719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6517 1.4093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6516 0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 0.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 0.1719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24 1 2 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 34 1 0 0 0 0 7 6 1 1 0 0 0 34 7 1 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 12 1 0 0 0 0 12 11 2 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 44 1 1 0 0 0 16 22 1 0 0 0 0 22 17 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 20 19 2 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 34 14 1 1 0 0 0 36 35 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 40 1 0 0 0 0 40 39 1 1 0 0 0 40 42 1 0 0 0 0 42 41 2 0 0 0 0 42 43 1 0 0 0 0 44 36 1 0 0 0 0 M END > CHEBI:36220 > lipoxin C4 > 3 > LXC4; Glycine, N-(S-(1-(4-carboxy-1-hydroxybutyl)-10-hydroxy-2,4,6,8-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)-, (1R-(1R*,1(S*),2E,4E,6Z,8E,10S*))-; 5,15-Dihydroxy-6-S-glutathionyl-7,9,13,11-eicosatetraenoic acid; 15-OH-Ltc3; 15-Hydroxy-delta-13-leukotriene C3; 15(S)-hydroxy-Delta(13)-trans-leukotriene C3 > L-gamma-glutamyl-S-{(1R,2E,4E,6Z,8E,10S)-1-[(1S)-4-carboxy-1-hydroxybutyl]-10-hydroxypentadeca-2,4,6,8-tetraen-1-yl}-L-cysteinylglycine > C30H47N3O10S > 641.77440 > 641.29822 > 0 > CCCCC[C@H](O)\C=C\C=C/C=C/C=C/[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O > InChI=1S/C30H47N3O10S/c1-2-3-8-12-21(34)13-9-6-4-5-7-10-15-25(24(35)14-11-16-27(37)38)44-20-23(29(41)32-19-28(39)40)33-26(36)18-17-22(31)30(42)43/h4-7,9-10,13,15,21-25,34-35H,2-3,8,11-12,14,16-20,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b6-4-,7-5+,13-9+,15-10+/t21-,22-,23-,24-,25+/m0/s1 > CYCIJLWHNZKKBC-MTFYIJSJSA-N > 85951-62-8 > 85951-62-8 $$$$