LMFA07050435 LIPID_MAPS_STRUCTURE_DATABASE 60 62 0 0 0 999 V2000 19.0534 -14.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2448 -13.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7446 -15.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4361 -14.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7450 -15.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3319 -16.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8807 -19.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7807 -19.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0151 -19.9616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1495 -19.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 -19.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0495 -17.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1495 -18.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0495 -16.9631 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3184 -16.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 -16.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9151 -15.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5496 -14.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0495 -14.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5494 -14.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 -15.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3183 -14.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7807 -14.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 -14.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7785 -14.9639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7801 -13.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7801 -15.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7790 -13.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7790 -15.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7801 -14.9639 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.7790 -14.9639 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4854 -14.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1574 -16.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1578 -17.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1569 -17.3249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1574 -17.3249 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.1574 -18.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0039 -14.2572 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7468 -14.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4104 -13.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6123 -14.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7468 -15.9255 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4045 -13.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4778 -14.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6124 -16.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4778 -15.9253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3434 -14.4261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6463 -19.4620 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4829 -19.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4829 -20.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3648 -19.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8296 -19.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7119 -19.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5943 -19.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4765 -19.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3589 -19.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2292 -19.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0968 -19.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9612 -19.9607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2259 -20.9550 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 49 50 2 0 0 0 0 49 51 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 49 48 1 0 0 0 51 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 57 60 2 0 0 0 59 52 1 0 0 0 0 M END > LMFA07050435 > 3-oxo-7Z-decenoyl-CoA > 3-oxo-7Z-decenoyl-CoA > C31H50N7O18P3S > 933.21 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > CAOIKCCYWOADLF-QNRDQHSLSA-N > InChI=1S/C31H50N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h5-6,17-18,20,24-26,30,42-43H,4,7-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/b6-5-/t20-,24-,25-,26+,30-/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(CC(=O)CCC/C=C\CC)=O)C)O1)N1C=NC2C(N)=NC=NC1=2 > - > - > - > CoA 10:2;O > - > - > 171119044 > - > - > - > - > - > - > - $$$$