LMFA07050404 LIPID_MAPS_STRUCTURE_DATABASE 67 69 0 0 0 999 V2000 19.0465 -14.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2382 -13.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7378 -15.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4298 -14.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7386 -15.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3250 -16.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8769 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7765 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0116 -19.9545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1464 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2811 -19.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0460 -17.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1464 -18.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0460 -16.9571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3155 -16.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 -16.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9113 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5464 -14.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0460 -14.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5456 -14.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 -15.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3154 -14.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7765 -14.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7748 -14.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7730 -14.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 -13.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 -15.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7739 -13.9596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7739 -15.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7756 -14.9587 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7739 -14.9587 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4796 -14.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1513 -16.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1521 -17.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1504 -17.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1513 -17.3187 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.1513 -18.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9967 -14.2523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7393 -14.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4031 -13.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6045 -14.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7393 -15.9200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3968 -13.4439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4698 -14.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6046 -16.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4698 -15.9198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3350 -14.4211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 -19.4550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5070 -20.9537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5070 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3723 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2376 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1028 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9681 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8335 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6988 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5640 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4293 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4284 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2937 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1589 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1581 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0234 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8887 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7540 -19.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6192 -19.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4845 -19.4550 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 50 1 0 0 0 0 50 49 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 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 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 M END > LMFA07050404 > > (2E,9Z,12Z)-octadecatrienoyl-CoA > C39H64N7O17P3S > 1027.33 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > XNZJYLZAYIJRPB-KMRZWPGYSA-N > InChI=1S/C39H64N7O17P3S/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/h8-9,11-12,18-19,26-28,32-34,38,49-50H,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)/b9-8-,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(/C=C/CCCCC/C=C\C/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > 78190 > CoA 18:3 > - > - > 86289276 > - > - > - > - > - > - > - $$$$