LMFA07050441 LIPID_MAPS_STRUCTURE_DATABASE 71 73 0 0 0 999 V2000 -14.1123 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1123 -9.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2135 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3142 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4150 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5158 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6165 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7173 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8181 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9189 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0196 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1204 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2212 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3219 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4227 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1742 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8719 -8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 -8.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6356 -3.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4443 -2.7752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9444 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2532 -3.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9442 -4.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3569 -5.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.8099 -8.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9098 -8.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6757 -8.7595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.5414 -8.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4072 -8.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6413 -6.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5414 -7.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6413 -5.7603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.3728 -5.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.5071 -5.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7755 -4.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1412 -2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6413 -3.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1414 -2.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5071 -4.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3729 -3.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.9098 -3.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9104 -3.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9110 -3.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9101 -2.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9101 -4.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9107 -2.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9107 -4.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.9101 -3.7607 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -12.9107 -3.7607 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -11.2040 -3.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5319 -5.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5317 -6.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5322 -6.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5319 -6.1221 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -10.5319 -7.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6848 -3.0539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -3.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2782 -2.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 -3.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -4.7226 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2838 -2.2451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -3.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0759 -5.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -4.7224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3444 -3.2228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.0439 -8.2597 0.0000 S 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 61 1 1 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 26 29 1 6 0 0 0 27 55 1 1 0 0 0 28 27 1 0 0 0 0 28 56 1 6 0 0 0 32 30 1 0 0 0 0 30 31 1 0 0 0 0 31 71 1 0 0 0 0 33 32 1 0 0 0 0 36 33 1 0 0 0 0 33 34 2 0 0 0 0 35 37 1 0 0 0 0 36 35 1 0 0 0 0 39 37 1 0 0 0 0 39 38 2 0 0 0 0 39 44 1 0 0 0 0 42 40 1 0 0 0 0 40 46 1 0 0 0 0 42 41 1 0 0 0 0 44 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 6 0 0 0 46 53 1 0 0 0 0 53 47 1 0 0 0 0 47 54 1 0 0 0 0 54 48 1 0 0 0 0 55 48 1 0 0 0 0 53 49 2 0 0 0 0 53 50 1 0 0 0 0 54 51 2 0 0 0 0 54 52 1 0 0 0 0 56 59 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 59 60 2 0 0 0 0 62 61 1 0 0 0 0 63 61 1 0 0 0 0 64 62 2 0 0 0 0 65 62 1 0 0 0 0 66 63 2 0 0 0 0 67 64 1 0 0 0 0 66 64 1 0 0 0 0 68 65 2 0 0 0 0 69 67 2 0 0 0 0 70 67 1 0 0 0 0 69 68 1 0 0 0 0 71 1 1 0 0 0 0 M END > LMFA07050441 > 2E,4Z,7Z,10Z,13Z,16Z,19Z-docosaheptaenoyl-CoA > 2E,4Z,7Z,10Z,13Z,16Z,19Z-docosaheptaenoyl-CoA > C43H64N7O17P3S > 1075.33 > Fatty Acyls [FA] > Fatty esters [FA07] > Fatty acyl CoAs [FA0705] > - > > HTSMCTDWAPSBNO-CWGSFJFBSA-N > InChI=1S/C43H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,20-23,30-32,36-38,42,53-54H,4,7,10,13,16,19,24-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-,23-22+/t32-,36-,37-,38+,42-/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=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O > - > - > 78194 > CoA 22:7 > - > - > 86289278 > - > - > - > - > - > - > - $$$$