LMFA07050454 LIPID_MAPS_STRUCTURE_DATABASE 65 67 0 0 0 999 V2000 -7.1076 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1076 -9.8317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2158 -8.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3151 -8.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4229 -8.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7307 -8.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0871 -8.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8052 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6974 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 -8.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4817 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -8.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -8.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6053 -3.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 -2.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9141 -4.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2224 -3.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9135 -4.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 -5.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7772 -8.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8773 -8.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6426 -8.7773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5082 -8.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3738 -8.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6083 -6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5082 -7.2783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6083 -5.7791 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3393 -5.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4738 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7427 -4.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1081 -2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6083 -3.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1084 -2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4738 -4.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3393 -3.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8773 -3.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8785 -3.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8799 -3.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8781 -2.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8781 -4.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8791 -2.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8791 -4.7795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8781 -3.7802 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.8791 -3.7802 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -5.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 -6.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 -6.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -6.1407 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -7.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6548 -3.0734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -3.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -2.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 -3.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.7418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 -2.2650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -3.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 -5.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -4.7416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6844 -3.2423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0117 -8.2777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 -8.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 4 5 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 54 1 1 0 0 0 18 17 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 19 22 1 6 0 0 0 20 48 1 1 0 0 0 21 20 1 0 0 0 0 21 49 1 6 0 0 0 25 23 1 0 0 0 0 23 24 1 0 0 0 0 24 64 1 0 0 0 0 26 25 1 0 0 0 0 29 26 1 0 0 0 0 26 27 2 0 0 0 0 28 30 1 0 0 0 0 29 28 1 0 0 0 0 32 30 1 0 0 0 0 32 31 2 0 0 0 0 32 37 1 0 0 0 0 35 33 1 0 0 0 0 33 39 1 0 0 0 0 35 34 1 0 0 0 0 37 35 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 6 0 0 0 39 46 1 0 0 0 0 46 40 1 0 0 0 0 40 47 1 0 0 0 0 47 41 1 0 0 0 0 48 41 1 0 0 0 0 46 42 2 0 0 0 0 46 43 1 0 0 0 0 47 44 2 0 0 0 0 47 45 1 0 0 0 0 49 52 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 52 53 2 0 0 0 0 55 54 1 0 0 0 0 56 54 1 0 0 0 0 57 55 2 0 0 0 0 58 55 1 0 0 0 0 59 56 2 0 0 0 0 60 57 1 0 0 0 0 59 57 1 0 0 0 0 61 58 2 0 0 0 0 62 60 2 0 0 0 0 63 60 1 0 0 0 0 62 61 1 0 0 0 0 64 1 1 0 0 0 0 3 4 1 0 0 0 0 6 65 1 0 0 0 65 5 1 0 0 0 7 8 2 0 0 0 0 6 7 1 0 0 0 0 M END > LMFA07050454 > 3E,7Z,10Z,13Z-hexadecatetraenoyl-CoA > 3E,7Z,10Z,13Z-hexadecatetraenoyl-CoA > C37H58N7O17P3S > 997.28 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > RDUFPHXVOIEKMV-YBQPJAEWSA-N > InChI=1S/C37H58N7O17P3S/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/h5-6,8-9,11-12,15-16,24-26,30-32,36,47-48H,4,7,10,13-14,17-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/b6-5-,9-8-,12-11-,16-15+/t26-,30-,31-,32+,36-/m1/s1 > C(SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)N1C=NC2C(N)=NC=NC1=2)=O)(C/C=C/CC/C=C\C/C=C\C/C=C\CC)=O > - > - > - > CoA 16:4 > - > - > 171119018 > - > - > - > - > - > - > - $$$$