LMFA07050490 LIPID_MAPS_STRUCTURE_DATABASE 67 69 0 0 0 999 V2000 18.9893 -14.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1727 -13.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6774 -15.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3561 -14.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6681 -15.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2706 -16.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7368 -19.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6455 -19.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8627 -19.7516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9888 -19.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1147 -19.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8974 -17.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9888 -18.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8974 -16.7238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1495 -16.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0233 -16.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7716 -15.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3928 -13.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8974 -14.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4022 -13.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0233 -15.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1493 -14.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6455 -14.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6641 -14.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6826 -14.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6548 -13.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6548 -15.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6733 -13.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6733 -15.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6548 -14.7051 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.6733 -14.7051 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.3963 -13.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0748 -16.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0655 -17.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0841 -17.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0748 -17.0891 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.0748 -18.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9491 -13.9916 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6992 -14.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3597 -13.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5732 -14.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6992 -15.6761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3634 -13.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4473 -14.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5733 -16.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4473 -15.6760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3213 -14.1620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5197 -19.2470 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 -20.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3144 -19.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1523 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9901 -19.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8278 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6656 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5033 -19.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3411 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1788 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0166 -19.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8543 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6921 -19.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5298 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3676 -19.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2053 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0431 -19.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8808 -19.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7186 -19.3330 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 49 50 2 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 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 49 48 1 0 0 0 0 M END > LMFA07050490 > Sebaleoyl CoA > 5Z,8Z-octadecadienoyl-CoA > C39H66N7O17P3S > 1029.34 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > QNDAMFSHQHEREY-ZZCGWIPDSA-N > InChI=1S/C39H66N7O17P3S/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/h12-13,15-16,26-28,32-34,38,49-50H,4-11,14,17-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b13-12-,16-15-/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(CCC/C=C\C/C=C\CCCCCCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 18:2 > - > - > 171116395 > - > Fatty Acyls [FA]; Fatty Acyls [FA] > Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01] > Unsaturated fatty acids [FA0103]; Carbocyclic fatty acids [FA0114] > -; - > - > - $$$$