Mrv0541 02061413492D 52 51 0 0 0 0 999 V2000 5.0672 -5.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0673 -5.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3562 -4.6474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 -4.6705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -6.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6512 -7.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 -7.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -6.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3421 -7.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -5.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4772 -6.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7662 -5.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 -6.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -7.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 -7.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6831 -8.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0282 -8.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0212 -9.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7323 -10.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 -9.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 -10.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1547 -10.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4369 -11.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 -12.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3494 -3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4928 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2074 -3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 -3.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0639 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 -2.6081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9206 -3.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -3.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 -3.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -3.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -3.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7951 -4.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -5.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 -4.6705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 -5.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0628 -4.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 -5.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4918 -4.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 -5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9218 -3.4329 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.6363 -3.8453 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9217 -2.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9218 -4.2579 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 2 3 2 0 0 0 0 1 5 1 0 0 0 0 9 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 5 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 31 25 2 0 0 0 0 25 26 1 0 0 0 0 28 27 1 0 0 0 0 29 27 1 0 0 0 0 29 30 1 0 0 0 0 26 30 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 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 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 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 46 47 1 0 0 0 0 47 48 1 0 0 0 0 41 40 1 0 0 0 0 29 4 1 6 0 0 0 28 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 2 0 0 0 0 49 52 1 0 0 0 0 M CHG 2 50 -1 52 -1 M END > CHEBI:77130 > 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate(2-) > A 1,2-diacyl-sn-glycerol 3-phosphate(2?) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate; major species at pH 7.3. > 3 > PA 18:0/22:6(omega-3)(2-); 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphate; 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate(2-); (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(stearoyloxy)propyl phosphate > (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl phosphate > C43H71O8P > 746.99390 > 746.48975 > -2 > CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C43H73O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,41H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3,(H2,46,47,48)/p-2/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-/m1/s1 > SFHGEOGVGJYLEK-USQBYQOHSA-L $$$$