Mrv1572004261611512D 75 74 0 0 1 0 999 V2000 -16.8020 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 10.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7282 13.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7007 12.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3988 13.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0875 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3466 10.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3730 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3466 11.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6586 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 12.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9441 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 13.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2296 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 13.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5151 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 13.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8007 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 13.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0862 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 13.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3717 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 12.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6573 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6335 11.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9428 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2283 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6335 10.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5138 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7994 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 10.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0849 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9190 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3704 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6560 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9415 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5126 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3466 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9177 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 12.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2512 12.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 10.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 9.7006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3691 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 9.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 13.1921 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3691 8.4631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 10.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3137 11.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 12.5881 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3453 9.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6637 11.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 10.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 9.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4887 11.7631 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 12.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 11.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 14.2381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 12.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6335 13.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 11.7631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3479 10.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 10.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2045 8.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 10.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 10.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 28 2 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 2 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 49 48 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 53 46 1 0 0 0 0 54 47 1 0 0 0 0 55 3 1 0 0 0 0 55 4 1 0 0 0 0 55 5 1 0 0 0 0 55 48 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 60 50 1 0 0 0 0 60 53 1 0 0 0 0 61 49 1 0 0 0 0 62 51 1 0 0 0 0 52 63 1 1 0 0 0 63 54 1 0 0 0 0 64 58 2 0 0 0 0 64 59 1 0 0 0 0 64 61 1 0 0 0 0 64 62 1 0 0 0 0 65 9 1 0 0 0 0 66 11 1 0 0 0 0 67 15 1 0 0 0 0 68 17 1 0 0 0 0 69 21 1 0 0 0 0 70 23 1 0 0 0 0 71 28 1 0 0 0 0 72 31 1 0 0 0 0 73 35 1 0 0 0 0 74 37 1 0 0 0 0 52 75 1 1 0 0 0 M CHG 2 55 1 59 -1 M END > CHEM038100 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C54H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-30-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-31-28-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,28,31,35,37,52H,6-8,10,12-14,16,18-20,22,24-27,29-30,32-34,36,38-51H2,1-5H3/b11-9+,17-15+,23-21+,31-28+,37-35+/t52-/m1/s1 > UZTHJRIGJWALIL-UDMYPZDUSA-N > C54H98NO8P > 920.351 > 919.703006118 > 4 > 162 > 114.4855296232549 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 7.13 > 12.528149405861587 > -7.52 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316060262 > 111.19000000000001 > 285.8620999999999 > 49 > 0 > 2.91e-05 g/l > (2-{[(2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(tetracosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(24:0/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$