LMFA07050429 LIPID_MAPS_STRUCTURE_DATABASE 65 67 0 0 0 999 V2000 19.0578 -14.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2491 -13.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7490 -15.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4402 -14.5697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7492 -15.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3365 -16.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8834 -19.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7835 -19.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0176 -19.9664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1519 -19.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2861 -19.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0520 -17.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1519 -18.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0520 -16.9672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3205 -16.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1862 -16.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9178 -15.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 -14.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0520 -14.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5519 -14.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1862 -15.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3204 -14.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7835 -14.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7830 -14.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7824 -14.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7832 -13.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7832 -15.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7827 -13.9679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7827 -15.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7832 -14.9676 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7827 -14.9676 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4894 -14.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1615 -16.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1617 -17.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1612 -17.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1615 -17.3290 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.1615 -18.3288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0086 -14.2608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7517 -14.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4152 -13.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6174 -14.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7517 -15.9295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4096 -13.4519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4833 -14.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6175 -16.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4833 -15.9293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3490 -14.4297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6494 -19.4666 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5151 -20.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5151 -19.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3809 -19.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2272 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0931 -19.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9589 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8246 -19.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6904 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6902 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5560 -19.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4217 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4215 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2873 -19.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1531 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0189 -19.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8847 -19.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7506 -19.4165 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 2 0 0 0 0 M END > LMFA07050429 > 2E,7Z,10Z-hexadecatrienoyl-CoA > 2E,7Z,10Z-hexadecatrienoyl-CoA > C37H60N7O17P3S > 999.30 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > WJHWJZSGWIEAAU-YLEUZIDYSA-N > InChI=1S/C37H60N7O17P3S/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/h8-9,11-12,16-17,24-26,30-32,36,47-48H,4-7,10,13-15,18-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b9-8-,12-11-,17-16+/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(/C=C/CCC/C=C\C/C=C\CCCCC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 16:3 > - > - > 162393688 > - > - > - > - > - > - > - $$$$