Ketcher 11161610182D 1 1.00000 0.00000 0 57 56 0 1 0 999 V2000 14.6604 -17.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7968 -17.9443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9341 -17.4475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5234 -17.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7965 -18.9470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0708 -17.9443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3918 -16.4402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2602 -17.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3918 -17.4429 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 16.4067 -18.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1288 -17.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9971 -17.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8657 -17.4429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1394 -20.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 -20.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4111 -20.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5564 -20.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 -20.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8281 -20.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -19.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7016 -18.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7015 -17.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5752 -17.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4299 -17.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3036 -17.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -17.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0320 -17.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8869 -17.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7606 -17.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6141 -17.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4878 -17.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3424 -17.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 -17.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2161 -16.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5332 -18.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3854 -19.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2378 -18.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1061 -19.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1061 -20.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2378 -20.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2378 -21.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1061 -22.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1061 -23.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9744 -23.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8428 -23.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7113 -23.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5796 -23.4733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5796 -22.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4479 -21.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4479 -20.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5795 -20.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5795 -19.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6608 -19.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6527 -20.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4478 -18.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3161 -19.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1845 -18.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 6 1 0 0 0 2 5 1 6 0 0 4 9 1 0 0 0 7 9 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 11 8 1 0 0 0 12 11 1 0 0 0 13 12 1 0 0 0 6 33 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 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 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 2 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 2 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 5 53 1 0 0 0 54 53 2 0 0 0 35 53 1 0 0 0 52 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 M END > CHEBI:131662 > 1-[(11Z,14Z)-icosadienoyl]-2-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphoethanolamine > A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as (11Z,14Z)-icosadienoyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. > 3 > Phosphatidylethanolamine(42:7); Phosphatidylethanolamine(20:2w6/22:5w6); Phosphatidylethanolamine(20:2n6/22:5n6); Phosphatidylethanolamine(20:2/22:5); PE(42:7); PE(20:2w6/22:5w6); PE(20:2n6/22:5n6); PE(20:2/22:5); PE(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)); GPEtn(42:7); GPEtn(20:2w6/22:5w6); GPEtn(20:2n6/22:5n6); GPEtn(20:2/22:5); 1-Eicosadienoyl-2-docosapentaenoyl-sn-glycero-3-phosphoethanolamine > (6Z,9Z,23R)-29-amino-26-hydroxy-20,26-dioxo-21,25,27-trioxa-26lambda(5)-phosphanonacosa-6,9-dien-23-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > C47H80NO8P > 818.116 > 817.56216 > 0 > C(OP(=O)(OCCN)O)[C@@H](COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC > InChI=1S/C47H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,22,24,28,30,34,36,45H,3-10,15-16,21,23,25-27,29,31-33,35,37-44,48H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,20-18-,24-22-,30-28-,36-34-/t45-/m1/s1 > YKGWPFOSRMGOGZ-BDJNJYPGSA-N > 27471436 $$$$