Mrv1572004261610382D 69 68 0 0 1 0 999 V2000 25.3611 -4.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -6.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0649 -5.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5629 -5.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1598 -6.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6870 -3.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5439 -5.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7619 -3.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 -5.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0879 -2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -4.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1628 -1.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -4.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4887 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1916 -3.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5636 -0.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9406 -3.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8895 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0155 -2.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1405 -0.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7645 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4665 0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4385 -2.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7175 -0.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6426 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8616 -2.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8936 -1.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6105 -2.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8187 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2846 -2.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0698 -2.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0336 -2.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3957 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1085 -1.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6467 -2.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8574 -1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9727 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5315 -1.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2237 -2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2805 -1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4680 -4.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6464 -4.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1266 -1.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3027 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3776 -1.9704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5496 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9546 -1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8139 -5.6073 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.6245 -0.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8797 -2.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6572 -3.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4039 -4.7812 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.8006 -2.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3004 -4.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5537 -3.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7035 -1.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 -3.9596 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.7397 -1.5813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5176 -3.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3126 -0.0678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6147 -3.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0656 -1.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 -1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5414 1.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 -3.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3167 -1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2196 -0.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0517 -2.4461 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 2 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 25 1 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 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 1 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 43 42 1 0 0 0 0 46 44 1 0 0 0 0 46 45 1 0 0 0 0 47 40 1 0 0 0 0 48 41 1 0 0 0 0 49 3 1 0 0 0 0 49 4 1 0 0 0 0 49 5 1 0 0 0 0 49 42 1 0 0 0 0 50 47 2 0 0 0 0 51 48 2 0 0 0 0 54 44 1 0 0 0 0 54 47 1 0 0 0 0 55 43 1 0 0 0 0 56 45 1 0 0 0 0 46 57 1 1 0 0 0 57 48 1 0 0 0 0 58 52 2 0 0 0 0 58 53 1 0 0 0 0 58 55 1 0 0 0 0 58 56 1 0 0 0 0 59 14 1 0 0 0 0 60 15 1 0 0 0 0 61 16 1 0 0 0 0 62 17 1 0 0 0 0 63 20 1 0 0 0 0 64 21 1 0 0 0 0 65 22 1 0 0 0 0 66 23 1 0 0 0 0 67 26 1 0 0 0 0 68 28 1 0 0 0 0 46 69 1 1 0 0 0 M CHG 2 49 1 53 -1 M END > CHEM037727 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,46H,6-13,18-19,24-25,27,29-45H2,1-5H3/b16-14+,17-15+,22-20+,23-21+,28-26+/t46-/m1/s1 > ORJYHUZZUPRLIN-HGUMAGNDSA-N > C48H86NO8P > 836.189 > 835.609105731 > 4 > 144 > 100.26484043139574 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 6.25 > 9.860737415861585 > -7.50 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159309193598 > 111.19000000000001 > 258.25610000000006 > 43 > 0 > 2.79e-05 g/l > (2-{[(2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:3(8Z,11Z,14Z)/20:2(11Z,14Z)) $$$$