LMFA07050406 LIPID_MAPS_STRUCTURE_DATABASE 65 67 0 0 0 999 V2000 19.0466 -14.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2383 -13.9739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7379 -15.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4299 -14.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7387 -15.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3251 -16.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8770 -19.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 -19.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0117 -19.9546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1465 -19.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2812 -19.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -17.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1465 -18.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -16.9572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3156 -16.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1808 -16.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9114 -15.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5465 -14.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0461 -14.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5457 -14.0936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1808 -15.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3155 -14.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 -14.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7749 -14.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7731 -14.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7757 -13.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7757 -15.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 -13.9597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 -15.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7757 -14.9588 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 -14.9588 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4797 -14.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1514 -16.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1522 -17.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1505 -17.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1514 -17.3188 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.1514 -18.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9968 -14.2524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7395 -14.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4032 -13.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6047 -14.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7395 -15.9201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3970 -13.4440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4700 -14.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6048 -16.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4700 -15.9199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3352 -14.4212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6419 -19.4551 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5071 -20.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5071 -19.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3724 -19.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2182 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0836 -19.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9489 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8141 -19.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6794 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6786 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5439 -19.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4091 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4083 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2736 -19.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1389 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0042 -19.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8694 -19.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7348 -19.4051 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 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 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 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 51 52 1 0 0 0 0 M END > LMFA07050406 > > 7Z,10Z-hexadecadienoyl-CoA > C37H62N7O17P3S > 1001.31 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > OKKMIEAMIHILAM-BBQXBXLMSA-N > InChI=1S/C37H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h8-9,11-12,24-26,30-32,36,47-48H,4-7,10,13-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b9-8-,12-11-/t26-,30-,31-,32+,36-/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(CCCCC/C=C\C/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 16:2 > - > - > 162393685 > - > - > - > - > - > - > - $$$$