Mrv0541 02171513402D 53 52 0 0 0 0 999 V2000 8.2505 -3.3149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5360 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9649 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8215 -3.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 -3.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1073 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 -4.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3925 -3.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6781 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 -3.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2492 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 -3.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8203 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1058 -3.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3913 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -3.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3937 -2.9023 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.1082 -3.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3937 -2.0772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3937 -3.7273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2517 -2.9024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5372 -3.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8227 -2.9024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3230 -1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 -1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 -1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 -5.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5361 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8217 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1073 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3928 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4661 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1805 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6095 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3239 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0384 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3227 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5351 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3916 -4.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7517 -4.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 6 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 7 4 2 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 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 16 17 1 0 0 0 0 17 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 34 33 2 0 0 0 0 34 8 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 50 1 0 0 0 0 50 38 2 0 0 0 0 38 47 1 0 0 0 0 47 51 1 0 0 0 0 51 48 2 0 0 0 0 48 39 1 0 0 0 0 39 52 1 0 0 0 0 52 49 2 0 0 0 0 49 40 1 0 0 0 0 40 53 1 0 0 0 0 53 41 2 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 1 0 0 0 0 45 46 1 0 0 0 0 M END > CHEBI:84837 > 1-octadecanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine > A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as octadecanoyl (stearoyl) and (5E,8E,11E,14E)-eicosatetraenoyl respectively. > 3 > PE(18:0/20:4); PE(18:0/20:4(5E,8E,11E,14E)) > (21R)-27-amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda(5)-phosphaheptacosan-21-yl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate > C43H78NO8P > 768.05510 > 767.54651 > 0 > CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC > InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11+,19-17+,24-22+,30-28+/t41-/m1/s1 > ANRKEHNWXKCXDB-GKGUFKCQSA-N > LMGP02010129 $$$$