Mrv0541 01271514152D 59 58 0 0 1 0 999 V2000 13.5825 -4.9342 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.8680 -5.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1534 -4.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4390 -5.3466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7246 -4.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0101 -5.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4390 -6.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5825 -4.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 -5.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7958 -5.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0113 -4.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7259 -5.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4403 -4.9342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6076 -5.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3089 -4.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3089 -4.1093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8651 -4.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4368 -4.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4094 -4.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1099 -3.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1574 -5.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1099 -2.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3955 -2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3955 -1.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 -1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2521 -1.2453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -2.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -3.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -4.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -4.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8233 -5.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1087 -4.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 -5.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8415 -6.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1403 -6.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1403 -7.4090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5840 -6.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0123 -6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0397 -7.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3392 -7.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2917 -6.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3392 -8.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 -9.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0536 -9.8603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7680 -10.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4824 -9.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1970 -10.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9114 -9.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9114 -9.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6259 -8.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6259 -7.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9115 -7.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9114 -6.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6258 -6.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3404 -6.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0549 -6.1478 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 4 7 1 6 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 6 1 0 0 0 0 15 16 2 0 0 0 0 14 17 1 0 0 0 0 21 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 20 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 37 38 1 0 0 0 0 38 7 1 0 0 0 0 38 39 2 0 0 0 0 37 40 1 0 0 0 0 44 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 40 44 1 0 0 0 0 43 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 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 M END > CHEBI:84538 > 1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine > A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both the acyl groups specified is (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. > 3 > Phophatidylethanolamine(22:6w3/22:6w3); Phophatidylethanolamine(22:6n3/22:6n3); Phophatidylethanolamine(22:6/22:6); PE(22:6w3/22:6w3); PE(22:6n3/22:6n3); PE(22:6/22:6); PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)); GPEtn(22:6w3/22:6w3); GPEtn(22:6n3/22:6n3); GPEtn(22:6/22:6) > (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > C49H74NO8P > 836.08750 > 835.51521 > 0 > CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-/m1/s1 > RBDNSJMXMWTPCS-NYUVKXDYSA-N > 123284-81-1 > 10638042 > 123284-81-1 > LMGP02010093 $$$$