LMFA03010239 LIPID_MAPS_STRUCTURE_DATABASE 43 43 0 0 0 999 V2000 6.9201 4.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9201 5.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 5.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 4.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 3.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7269 5.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5903 5.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7269 3.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5903 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5874 5.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4510 5.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3143 5.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1780 5.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0415 5.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9050 5.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0415 4.3289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6637 2.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4924 3.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2964 3.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1983 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1004 3.4337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0024 3.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 7.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6885 7.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 7.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 7.9389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 7.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 7.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4303 9.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 8.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 9.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 7.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1944 10.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 11.2645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 12.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 10.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 11.3241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 6.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 8.7556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 8.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4303 10.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6629 6.2984 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 2 6 1 6 0 0 0 6 7 1 0 0 0 0 1 8 2 0 0 0 0 8 9 1 0 0 0 0 7 10 2 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 5 17 2 0 0 0 0 18 9 2 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 25 26 1 0 0 0 0 26 24 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 29 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 34 38 1 1 0 0 0 24 39 2 0 0 0 0 26 40 1 1 0 0 0 40 30 1 0 0 0 0 29 41 1 0 0 0 0 30 42 2 0 0 0 0 3 43 1 0 0 0 43 25 1 0 0 0 0 M END > LMFA03010239 > 15dPGJ2-GS > 11-oxo-9-(S-glutathionyl)-5Z,12E,14E-prostatetraenoic acid > C30H45N3O9S > 623.29 > Fatty Acyls [FA] > Eicosanoids [FA03] > Prostaglandins [FA0301] > - > glutathionyl-15-deoxy-delta-12,14-Prostaglandin J2 > PJVSKAKTGJJITI-YPYHUWNQSA-N > InChI=1S/C30H45N3O9S/c1-2-3-4-5-6-9-12-20-21(13-10-7-8-11-14-27(36)37)25(17-24(20)34)43-19-23(29(40)32-18-28(38)39)33-26(35)16-15-22(31)30(41)42/h6-7,9-10,12,21-23,25H,2-5,8,11,13-19,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b9-6+,10-7-,20-12+/t21-,22+,23+,25?/m1/s1 > C1(=C/C=C/CCCCC)\C(=O)CC(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(O)=O)[C@@H]\1C/C=C\CCCC(=O)O > - > - > 183971 > - > - > - > 156593934 > - > - > - > - > - > 10090 > 36370807 $$$$