Mrv0541 01201509442D 98 97 0 0 0 0 999 V2000 22.1917 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9060 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6206 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0496 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7640 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4772 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7628 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0483 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0483 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4785 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1929 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9074 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6219 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3363 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0507 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7652 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3338 -3.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 -2.5934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3186 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6041 -1.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0329 -2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8579 -2.5934 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.6828 -2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8579 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8579 -3.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3973 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1118 -2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8262 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1118 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5407 -2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3656 -2.5934 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 17.1905 -2.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3656 -1.7685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3656 -3.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9050 -3.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6195 -2.5934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6195 -1.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 -2.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4607 -2.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 -1.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 -3.0058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 -2.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6028 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1738 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8897 -3.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8941 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6106 -0.1224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8897 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9050 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2003 -0.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9050 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1796 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4652 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7507 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0362 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3218 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6074 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1784 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3535 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6391 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9246 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0996 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6149 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4727 -0.1187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3339 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0484 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7628 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4773 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 -3.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6195 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3338 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0483 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7628 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4773 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1917 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9061 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6206 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4456 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1600 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8745 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6994 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4139 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1284 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8428 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5572 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2717 -0.0937 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 7 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 6 11 1 0 0 0 0 16 17 1 0 0 0 0 9 18 1 0 0 0 0 19 48 1 6 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 51 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 18 1 1 0 0 0 37 38 1 0 0 0 0 38 54 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 39 48 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 55 56 1 0 0 0 0 56 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 1 0 0 0 0 49 55 1 0 0 0 0 62 63 2 0 0 0 0 64 65 1 0 0 0 0 63 64 1 0 0 0 0 65 66 2 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 66 67 1 0 0 0 0 70 71 1 0 0 0 0 47 72 1 0 0 0 0 72 73 2 0 0 0 0 74 75 1 0 0 0 0 73 74 1 0 0 0 0 75 76 2 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 76 77 1 0 0 0 0 80 81 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 52 82 1 0 0 0 0 88 89 1 0 0 0 0 87 88 1 0 0 0 0 89 90 2 0 0 0 0 91 92 1 0 0 0 0 90 91 1 0 0 0 0 92 93 2 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 93 94 1 0 0 0 0 M END > CHEBI:84400 > 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin > A cardiolipin in which the phosphatidyl acyl groups at positions 1, 1' and 2 are specified as linoleoyl, while that at position 2' is specified as palmitoyl. > 3 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/16:0); 1'-[1,2-dilinoleoyl-sn-glycero-3-phospho]-3'-[1-linoleoyl-2-palmitoyl-sn-glycero-3-phospho]-glycerol; 1'-[1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho]-3'-[1-(9Z,12Z-octadecadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho]-glycerol > (6Z,9Z,21R,33R,44Z,47Z)-24,27,30-trihydroxy-24,30-dioxido-18,36-dioxo-33-(palmitoyloxy)-19,23,25,29,31,35-hexaoxa-24lambda(5),30lambda(5)-diphosphatripentaconta-6,9,44,47-tetraen-21-yl (9Z,12Z)-octadeca-9,12-dienoate > C79H142O17P2 > 1425.91010 > 1424.97223 > 0 > CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(=O)OCC(O)COP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C79H142O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h21-23,25-27,33-38,73-75,80H,5-20,24,28-32,39-72H2,1-4H3,(H,85,86)(H,87,88)/b25-21-,26-22-,27-23-,36-33-,37-34-,38-35-/t73?,74-,75-/m1/s1 > PPNASYWUDWBRIL-CPPVQQPJSA-N $$$$