LMGL03012590 LIPID_MAPS_STRUCTURE_DATABASE 76 75 0 0 0 0 0 0 0 0999 V2000 23.3119 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5838 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8560 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1279 6.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4001 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4001 8.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0045 6.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1631 6.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4352 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4352 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7074 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6722 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3119 8.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9062 8.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9062 9.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6342 8.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9739 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2402 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5066 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7730 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0394 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3058 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5722 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8386 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1050 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3713 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6377 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9041 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1705 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4369 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7033 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9697 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2360 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7688 6.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0352 5.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9387 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2050 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4714 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7378 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0042 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2706 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5370 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8034 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0697 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3361 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6025 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8689 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1353 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4017 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6681 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2008 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4672 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7336 6.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 7.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1732 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4396 9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7060 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9724 9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2388 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5052 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7716 9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0379 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3043 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5707 9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8371 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1035 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3699 9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6363 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9026 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1690 9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4354 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7018 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9682 9.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2346 10.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 6 0 0 0 2 7 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 1 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 12 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 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 15 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 2 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 M END > LMGL03012590 > TG 22:3(10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z) [iso3] > 1-(10Z,13Z,16Z-docosatrienoyl)-2,3-di-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol > C69H108O6 > 1032.81 > Glycerolipids [GL] > Triradylglycerols [GL03] > Triacylglycerols [GL0301] > - > TG(22:3/22:5/22:5)[iso3]; TG(66:13); TG(22:3_22:5_22:5) > TUAUJAABQBRTMG-LDPVVPPFSA-N > InChI=1S/C69H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-30,34-39,43,45-46,48,66H,4-6,8,11,13-15,22-24,31-33,40-42,44,47,49-65H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-,46-43-,48-45-/t66-/m0/s1 > C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O > - > - > - > TG 66:13 > - > SLM:000273603 > 9546548 > - > - > - > - > - > - > - $$$$