71627303 -OEChem-05142411192D 125124 0 1 0 0 0 0 0999 V2000 6.0010 -2.8100 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.9440 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5010 -3.6760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.1972 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 6.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8574 -5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 6.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -6.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -7.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 3.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 3.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 7.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 7.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 5.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 4.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 7.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 7.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -1.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 4.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 5.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 7.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 7.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 7.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6020 -4.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2035 -3.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3808 -5.2023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7794 -5.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5148 -3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9133 -4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4680 -5.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0695 -5.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 -0.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -1.4177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0335 6.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 7.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2469 -6.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6454 -7.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 -7.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 -7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0335 -6.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -2.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 40 2 1 6 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 48 1 0 0 0 0 5 43 2 0 0 0 0 6 44 2 0 0 0 0 7 50 1 0 0 0 0 10 52 1 0 0 0 0 11 52 2 0 0 0 0 51 12 1 1 0 0 0 12123 1 0 0 0 0 12124 1 0 0 0 0 12125 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 21 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 23 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 24 1 0 0 0 0 18 63 1 0 0 0 0 18 64 1 0 0 0 0 19 26 1 0 0 0 0 19 65 1 0 0 0 0 19 66 1 0 0 0 0 20 25 1 0 0 0 0 20 67 1 0 0 0 0 20 68 1 0 0 0 0 21 27 1 0 0 0 0 21 69 1 0 0 0 0 21 70 1 0 0 0 0 22 28 1 0 0 0 0 22 71 1 0 0 0 0 22 72 1 0 0 0 0 23 29 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 30 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 31 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 26 32 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 27 34 1 0 0 0 0 27 81 1 0 0 0 0 27 82 1 0 0 0 0 28 33 1 0 0 0 0 28 83 1 0 0 0 0 28 84 1 0 0 0 0 29 35 1 0 0 0 0 29 85 1 0 0 0 0 29 86 1 0 0 0 0 30 39 1 0 0 0 0 30 87 1 0 0 0 0 30 88 1 0 0 0 0 31 43 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 32 44 1 0 0 0 0 32 91 1 0 0 0 0 32 92 1 0 0 0 0 33 46 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 34 35 2 0 0 0 0 34 95 1 0 0 0 0 35 96 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 37 41 1 0 0 0 0 37 99 1 0 0 0 0 37100 1 0 0 0 0 38 42 1 0 0 0 0 38101 1 0 0 0 0 38102 1 0 0 0 0 39 42 2 0 0 0 0 39103 1 0 0 0 0 40 45 1 0 0 0 0 40 48 1 0 0 0 0 40104 1 0 0 0 0 41 47 1 0 0 0 0 41105 1 0 0 0 0 41106 1 0 0 0 0 42107 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 46110 1 0 0 0 0 46111 1 0 0 0 0 46112 1 0 0 0 0 47 49 1 0 0 0 0 47113 1 0 0 0 0 47114 1 0 0 0 0 48115 1 0 0 0 0 48116 1 0 0 0 0 49117 1 0 0 0 0 49118 1 0 0 0 0 49119 1 0 0 0 0 50 51 1 0 0 0 0 50120 1 0 0 0 0 50121 1 0 0 0 0 51 52 1 0 0 0 0 51122 1 0 0 0 0 M CHG 3 8 -1 10 -1 12 1 M END > 71627303 > 1 > 976 > 10 > 1 > 39 > AAADcfB+PAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQACAACDzhgAYCCABABRCIQCDSCIAAAAAgAAAICIGAAAgDABYAAQACAAAFsAAKAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-azaniumyl-3-[[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxido-phosphoryl]oxy-propanoate > (2S)-2-ammonio-3-[oxido-[(2S)-2-[(Z)-1-oxohexadec-9-enoxy]-3-[(Z)-1-oxooctadec-9-enoxy]propoxy]phosphoryl]oxypropanoate > (2S)-2-azaniumyl-3-[[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate > (2S)-2-azaniumyl-3-[[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-oxidophosphoryl]oxypropanoate > (2S)-2-azaniumyl-3-[[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanidyl-phosphoryl]oxy-propanoate > (2S)-2-ammonio-3-[[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxido-phosphoryl]oxy-propionate > InChI=1S/C40H74NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,36-37H,3-13,15,19-35,41H2,1-2H3,(H,44,45)(H,46,47)/p-1/b16-14-,18-17-/t36-,37-/m0/s1 > JSCZUPSIMWRJHP-GQDDDYKMSA-M > 9.7 > 758.49720952 > C40H73NO10P- > 759.0 > CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCCCCCC > CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCC > 179 > 758.49720952 > -1 > 52 > 2 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 51 12 5 40 2 6 $$$$