LMFA03020088 LIPID_MAPS_STRUCTURE_DATABASE 48 47 0 0 0 999 V2000 12.4635 6.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8177 7.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 6.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8206 7.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 7.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8219 7.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8233 7.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 7.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8260 7.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8277 7.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8291 7.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8305 7.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8318 7.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8251 5.8772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8367 7.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8359 8.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7559 7.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8690 8.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7100 6.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6299 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4534 5.7038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4547 6.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 5.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7280 4.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7659 4.9025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7259 4.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1392 6.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7259 3.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7544 2.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7544 2.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4294 3.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0789 2.6786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 5.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 5.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2636 6.3702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 5.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 4.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0382 4.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0126 3.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4635 7.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6299 4.9739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3981 5.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7280 3.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8976 3.1288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3575 3.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0512 2.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 5.1297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7443 4.0977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 1 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 9 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 10 18 1 1 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 1 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 28 32 1 1 0 0 0 3 33 1 0 0 0 0 33 34 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 1 40 2 0 0 0 0 20 41 1 1 0 0 0 41 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 2 0 0 0 0 39 44 1 0 0 0 39 45 1 0 0 0 39 46 1 0 0 0 38 47 1 0 0 0 38 48 1 0 0 0 M ISO 5 44 2 45 2 46 2 47 2 48 2 M END > LMFA03020088 > LTC4-d5 > 5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid > C30H42D5N3O9S > 630.33 > Fatty Acyls [FA] > Eicosanoids [FA03] > Leukotrienes [FA0302] > - > Leukotriene C4-d5 > GWNVDXQDILPJIG-IHTYDPOPSA-N > InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1/i1D3,2D2 > C(=O)(NCC(O)=O)[C@@H](NC(=O)CC[C@H](N)C(=O)O)CS[C@@H]([C@@H](O)CCCC(O)=O)/C=C/C=C/C=C\C/C=C\CCCC([2H])([2H])C([2H])([2H])[2H] > - > - > 185933 > - > 10006198 > - > 126456101 > - > Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Amino fatty acids [FA0110] > -; -; - > 32630 > - $$$$