Mrv1909 03052019042D 54 53 0 0 0 0 999 V2000 -8.8889 1.0404 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1744 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4599 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7453 0.6351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0308 1.0488 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.3163 0.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6017 1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8872 0.6435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 1.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 0.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 -0.1797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8872 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6037 -0.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6037 -1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 -1.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6159 1.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3205 1.4667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.8917 1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6042 0.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6888 1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 1.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 0.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 1.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 1.0739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 1.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6871 0.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 1.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 0.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8307 1.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5452 0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2598 1.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9743 0.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6888 1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 -1.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1769 -1.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -1.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 -1.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3187 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3957 -1.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5393 -1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 -1.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3975 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 -1.8636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 -1.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5411 -1.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 27 28 1 0 0 0 0 3 4 1 0 0 0 0 28 29 1 0 0 0 0 14 15 2 0 0 0 0 29 30 1 0 0 0 0 7 8 1 0 0 0 0 30 31 1 0 0 0 0 5 16 2 0 0 0 0 31 32 1 0 0 0 0 5 17 1 0 0 0 0 32 33 1 0 0 0 0 8 9 1 0 0 0 0 33 34 1 0 0 0 0 1 18 1 0 0 0 0 34 35 1 0 0 0 0 4 5 1 0 0 0 0 35 36 1 0 0 0 0 1 19 1 0 0 0 0 36 37 1 0 0 0 0 9 10 1 0 0 0 0 14 38 1 0 0 0 0 1 20 1 0 0 0 0 38 39 1 0 0 0 0 2 3 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 10 21 1 0 0 0 0 41 42 1 0 0 0 0 10 11 2 0 0 0 0 42 43 1 0 0 0 0 21 22 1 0 0 0 0 43 44 1 0 0 0 0 5 6 1 0 0 0 0 44 45 1 0 0 0 0 22 23 1 0 0 0 0 45 46 1 0 0 0 0 8 12 1 0 0 0 0 46 47 1 0 0 0 0 23 24 1 0 0 0 0 47 48 1 0 0 0 0 1 2 1 0 0 0 0 48 49 1 0 0 0 0 24 25 1 0 0 0 0 49 50 1 0 0 0 0 12 13 1 0 0 0 0 50 51 1 0 0 0 0 25 26 1 0 0 0 0 51 52 1 0 0 0 0 6 7 1 0 0 0 0 52 53 1 0 0 0 0 26 27 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 2 1 1 17 -1 M END > DB14099 > drugbank > CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC > InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3 > NRJAVPSFFCBXDT-UHFFFAOYSA-N > C44H88NO8P > 790.161 > 789.624755796 > 4 > 142 > 7.1623261702624674e-06 > 98.65064188613476 > 0 > 0 > 0 > 0 > (2-{[2,3-bis(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium > 5.92 > 9.89207103919492 > -7.59 > 0 > 0 > 0 > 0 > 1.8550572064469142 > -6.744159309169687 > 111.19 > 234.26910000000004 > 44 > 0 > 2.16e-05 g/l > (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2-{[(2S,3R,4S,5R)-4-{[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxycyclohexyl]oxy}oxane-3,4-diol > 0 > DB14099 > approved; experimental > 1,2-Distearoyllecithin > 1,2-Distearoyl-sn-glycero-3-phosphocholine; 1,2-Distearoylphosphatidylcholine; Dioctadecanoyl phosphatidylcholine; Dioctadecanoyllecithin; Distearoyl-DL-phosphatidylcholine > LumaSon; Lumason $$$$