LMFA07050424 LIPID_MAPS_STRUCTURE_DATABASE 67 69 0 0 0 999 V2000 11.5728 -14.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 -13.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2641 -15.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9561 -14.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2649 -15.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8513 -15.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 -19.5603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -19.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -17.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -18.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -16.5629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -16.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -16.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 -15.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 -13.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -14.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 -13.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -15.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -14.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3028 -14.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3011 -14.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2994 -14.5645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -13.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -15.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 -13.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 -15.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 -14.5645 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 -14.5645 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0059 -13.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 -15.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6784 -16.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6767 -16.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 -16.9245 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6776 -17.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5230 -13.8581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2656 -14.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9294 -12.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1308 -14.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2656 -15.5257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9231 -13.0497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9961 -14.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1309 -16.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9961 -15.5256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8613 -14.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 -19.0607 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7640 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6293 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0335 -20.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4946 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0904 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9556 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9547 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8200 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6854 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6845 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5498 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4150 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4141 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2794 -19.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1448 -19.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 49 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 M END > LMFA07050424 > > 2E,9Z,12Z,15Z-octadecatetraenoyl-CoA > C39H62N7O17P3S > 1025.31 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > HOTFJRZQCKNZDA-WIDGALAKSA-N > InChI=1S/C39H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h5-6,8-9,11-12,18-19,26-28,32-34,38,49-50H,4,7,10,13-17,20-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b6-5-,9-8-,12-11-,19-18+/t28-,32-,33-,34+,38-/m1/s1 > [C@@H]1([C@H](O)[C@H](OP(=O)(O)O)[C@@H](COP(O)(=O)OP(O)(=O)OCC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCC/C=C\C/C=C\C/C=C\CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 18:4 > - > - > 171118616 > - > - > - > - > - > - > - $$$$