Ketcher 05191515212D 1 1.00000 0.00000 0 70 69 0 1 0 999 V2000 16.5152 -3.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6490 -1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1844 -2.6002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9165 -2.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0504 -3.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7829 -3.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6490 -2.6003 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.6343 -3.6003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3182 -3.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3182 -4.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3814 -2.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2478 -3.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2478 -4.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1513 -2.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0173 -3.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8751 -2.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7329 -3.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5905 -2.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4484 -3.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3058 -2.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1635 -3.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0214 -2.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8751 -1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8961 -3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9129 -4.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6071 -4.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4648 -4.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3227 -4.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1804 -4.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0646 -4.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6282 -3.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6282 -4.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7620 -2.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7620 -4.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1304 -4.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1304 -5.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0132 -6.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0133 -7.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8957 -7.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8957 -8.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7784 -8.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9642 -4.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8123 -9.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9633 -10.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1624 -8.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0449 -9.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0722 -10.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7036 -11.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8457 -11.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6868 -10.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9713 -11.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1286 -7.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2461 -7.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4604 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6026 -3.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7449 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8874 -3.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0298 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -3.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2974 -2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2805 -1.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5862 -1.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7285 -1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8707 -1.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 -1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 -1.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 -2.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5651 -1.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 -3.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4312 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 2 7 2 0 0 0 3 5 1 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 3 9 1 0 0 0 9 10 2 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 12 13 1 1 0 0 15 14 1 0 0 0 14 12 1 0 0 0 17 16 1 0 0 0 15 16 1 0 0 0 23 16 2 0 0 0 18 17 1 0 0 0 18 19 1 0 0 0 20 19 1 0 0 0 20 21 1 0 0 0 22 21 1 0 0 0 22 24 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 25 1 0 0 0 32 31 1 0 0 0 33 31 2 0 0 0 34 32 1 0 0 0 24 33 1 0 0 0 25 34 1 0 0 0 36 35 1 0 0 0 13 35 1 0 0 0 42 35 2 0 0 0 37 36 1 0 0 0 37 38 1 0 0 0 39 38 1 0 0 0 39 40 1 0 0 0 41 40 1 0 0 0 41 43 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 44 1 0 0 0 49 48 1 0 0 0 50 48 2 0 0 0 51 49 1 0 0 0 43 50 1 0 0 0 44 51 1 0 0 0 45 52 1 0 0 0 52 53 1 0 0 0 55 54 1 0 0 0 55 56 1 0 0 0 57 56 1 0 0 0 57 58 1 0 0 0 59 58 1 0 0 0 59 60 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 61 1 0 0 0 68 67 1 0 0 0 69 67 1 0 0 0 70 68 1 0 0 0 60 69 1 0 0 0 61 70 1 0 0 0 54 9 1 0 0 0 M END > CHEBI:85791 > N-stearoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine > An N-acylphosphatidylethanolamine in which the N-acyl group is specified as stearoyl (octadecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl). > 3 > N-octadecanoyl-1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine > (2R)-5-hydroxy-2-{[(9Z)-octadec-9-enoyl]oxy}-5,10-dioxo-4,6-dioxa-9-aza-5lambda(5)-phosphaheptacosan-1-yl (9Z)-octadec-9-enoate > C59H112NO9P > 1010.49560 > 1009.80747 > 0 > CCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C59H112NO9P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(61)60-52-53-67-70(64,65)68-55-56(69-59(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-66-58(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h26-27,29-30,56H,4-25,28,31-55H2,1-3H3,(H,60,61)(H,64,65)/b29-26-,30-27-/t56-/m1/s1 > GNAPJEPSPJZGSJ-WJOAKYJCSA-N $$$$