Mrv1572004261611582D 75 74 0 0 1 0 999 V2000 -17.7592 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 10.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6579 9.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 10.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0447 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 9.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3302 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6158 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 9.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9013 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1868 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 9.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4724 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7579 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 9.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0434 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9618 9.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3289 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9618 8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6145 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6762 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1855 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6762 7.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4711 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7566 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9618 6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0421 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9618 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3276 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6132 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8987 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4698 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 8.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 8.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 6.9533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 6.1283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3263 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 6.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 9.6197 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3263 4.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 6.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 8.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 9.0158 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6119 6.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 8.1908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 7.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 8.1908 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 10.6658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 8.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0434 6.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6762 9.8408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3289 4.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 8.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3907 6.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 7.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 4.8908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5328 6.9533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1026 6.5408 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 1 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 2 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 15 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 22 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 > CHEM038131 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > 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/h15,17,20-23,28,31,35,37,52H,6-14,16,18-19,24-27,29-30,32-34,36,38-51H2,1-5H3/b17-15+,22-20+,23-21+,31-28+,37-35+/t52-/m1/s1 > WKNKNRYNWNOZNQ-WKAUBCAFSA-N > C54H98NO8P > 920.351 > 919.703006118 > 4 > 162 > 113.84406973097623 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-3-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 7.10 > 12.528149405861587 > -7.56 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316060262 > 111.19000000000001 > 285.8620999999999 > 49 > 0 > 2.71e-05 g/l > (2-{[(2R)-2-[(7E,10E,13E,16E)-docosa-7,10,13,16-tetraenoyloxy]-3-[(15E)-tetracos-15-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) $$$$