LMFA07050426 LIPID_MAPS_STRUCTURE_DATABASE 68 70 0 0 0 999 V2000 11.5730 -14.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7647 -13.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2643 -15.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9563 -14.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 -15.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8515 -15.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3029 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5379 -19.5605 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -19.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -17.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6727 -18.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -16.5631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -16.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -16.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 -15.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 -13.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 -14.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 -13.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -15.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -14.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3029 -14.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3012 -14.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2996 -14.5648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3021 -13.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3021 -15.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -13.5657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -15.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3021 -14.5648 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.3003 -14.5648 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.0061 -13.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6778 -15.9256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6786 -16.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6769 -16.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6778 -16.9247 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6778 -17.9239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5232 -13.8584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2659 -14.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9297 -12.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1311 -14.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2659 -15.5259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9234 -13.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9963 -14.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1312 -16.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9963 -15.5258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8615 -14.0272 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1682 -19.0609 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8987 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6295 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0336 -20.5596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4948 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2253 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0906 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9559 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9550 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8203 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6856 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6847 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5500 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4152 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4143 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2796 -19.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1450 -19.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7641 -20.5605 0.0000 O 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 1 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 51 68 2 0 0 0 M END > LMFA07050426 > 3-oxo-9Z,12Z,15Z-octadecatrienoyl-CoA > 3-oxo-9Z,12Z,15Z-octadecatrienoyl-CoA > C39H62N7O18P3S > 1041.31 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > AWBOYVXWDARCCP-PQBHNYBOSA-N > InChI=1S/C39H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h5-6,8-9,11-12,25-26,28,32-34,38,50-51H,4,7,10,13-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/b6-5-,9-8-,12-11-/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)CC(=O)CCCCC/C=C\C/C=C\C/C=C\CC)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 18:4;O > - > - > 171119045 > - > - > - > - > - > - > - $$$$