71627305 -OEChem-05062414092D 131130 0 1 0 0 0 0 0999 V2000 6.0010 -2.0600 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 9.4651 -2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.1940 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5010 -2.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0600 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0600 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.7953 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 5.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -7.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 6.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -8.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 7.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1938 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3967 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9851 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5866 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 3.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 4.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4680 -5.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0695 -4.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3808 -4.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7794 -5.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6579 7.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8608 7.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 6.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 5.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2469 -5.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6454 -6.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6020 -3.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2035 -2.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7269 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5239 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9258 7.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1288 7.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1191 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7206 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7919 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 5.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 6.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3340 -6.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9355 -5.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5148 -2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9133 -3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3899 7.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5929 7.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2628 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0598 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1129 -7.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5114 -8.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6623 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4589 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2560 6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 7.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 8.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2795 -8.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 -8.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8995 -7.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0335 6.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2604 7.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4135 7.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -2.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.5850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.5231 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 45 2 1 6 0 0 0 2 46 1 0 0 0 0 3 47 1 0 0 0 0 3 48 1 0 0 0 0 4 51 1 0 0 0 0 5 46 2 0 0 0 0 6 47 2 0 0 0 0 7 52 1 0 0 0 0 10 54 1 0 0 0 0 11 54 2 0 0 0 0 53 12 1 1 0 0 0 12129 1 0 0 0 0 12130 1 0 0 0 0 12131 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 22 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 16 24 1 0 0 0 0 16 61 1 0 0 0 0 16 62 1 0 0 0 0 17 29 1 0 0 0 0 17 63 1 0 0 0 0 17 64 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 65 1 0 0 0 0 18 66 1 0 0 0 0 19 26 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 69 1 0 0 0 0 20 70 1 0 0 0 0 21 28 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 31 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 30 1 0 0 0 0 23 75 1 0 0 0 0 23 76 1 0 0 0 0 24 32 1 0 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 25 33 1 0 0 0 0 25 79 1 0 0 0 0 25 80 1 0 0 0 0 26 34 1 0 0 0 0 26 81 1 0 0 0 0 26 82 1 0 0 0 0 27 35 1 0 0 0 0 27 83 1 0 0 0 0 27 84 1 0 0 0 0 28 36 1 0 0 0 0 28 85 1 0 0 0 0 28 86 1 0 0 0 0 29 37 1 0 0 0 0 29 87 1 0 0 0 0 29 88 1 0 0 0 0 30 38 1 0 0 0 0 30 89 1 0 0 0 0 30 90 1 0 0 0 0 31 39 1 0 0 0 0 31 91 1 0 0 0 0 31 92 1 0 0 0 0 32 43 1 0 0 0 0 32 93 1 0 0 0 0 32 94 1 0 0 0 0 33 40 1 0 0 0 0 33 95 1 0 0 0 0 33 96 1 0 0 0 0 34 41 1 0 0 0 0 34 97 1 0 0 0 0 34 98 1 0 0 0 0 35 42 1 0 0 0 0 35 99 1 0 0 0 0 35100 1 0 0 0 0 36 44 1 0 0 0 0 36101 1 0 0 0 0 36102 1 0 0 0 0 37 46 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 38 47 1 0 0 0 0 38105 1 0 0 0 0 38106 1 0 0 0 0 39 41 2 0 0 0 0 39107 1 0 0 0 0 40 49 1 0 0 0 0 40108 1 0 0 0 0 40109 1 0 0 0 0 41110 1 0 0 0 0 42 50 1 0 0 0 0 42111 1 0 0 0 0 42112 1 0 0 0 0 43 44 2 0 0 0 0 43113 1 0 0 0 0 44114 1 0 0 0 0 45 48 1 0 0 0 0 45 51 1 0 0 0 0 45115 1 0 0 0 0 48116 1 0 0 0 0 48117 1 0 0 0 0 49118 1 0 0 0 0 49119 1 0 0 0 0 49120 1 0 0 0 0 50121 1 0 0 0 0 50122 1 0 0 0 0 50123 1 0 0 0 0 51124 1 0 0 0 0 51125 1 0 0 0 0 52 53 1 0 0 0 0 52126 1 0 0 0 0 52127 1 0 0 0 0 53 54 1 0 0 0 0 53128 1 0 0 0 0 M CHG 3 8 -1 10 -1 12 1 M END > 71627305 > 1 > 1010 > 10 > 1 > 41 > AAADcfB+PAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQACAACDzhgAYCCABABRCIQCDSCIAAAAAgAAAICIGAAAgDABYAAQACAAAFsAAKAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-azaniumyl-3-[[(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxido-phosphoryl]oxy-propanoate > (2S)-2-ammonio-3-[[(2S)-2,3-bis[(Z)-1-oxooctadec-9-enoxy]propoxy]-oxidophosphoryl]oxypropanoate > (2S)-2-azaniumyl-3-[[(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxypropanoate > (2S)-2-azaniumyl-3-[[(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxypropanoate > (2S)-2-azaniumyl-3-[[(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidanidyl-phosphoryl]oxy-propanoate > (2S)-2-ammonio-3-[[(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxido-phosphoryl]oxy-propionate > InChI=1S/C42H78NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39H,3-16,21-37,43H2,1-2H3,(H,46,47)(H,48,49)/p-1/b19-17-,20-18-/t38-,39-/m0/s1 > WTBFLCSPLLEDEM-MDZJKYSESA-M > 10.8 > 786.52850965 > C42H77NO10P- > 787.0 > CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC > CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC > 179 > 786.52850965 > -1 > 54 > 2 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 53 12 5 45 2 6 $$$$