24836815 -OEChem-10051720583D 63 62 0 0 0 0 0 0 0999 V2000 -2.3870 -1.6066 -0.6435 P 0 3 0 0 0 0 0 0 0 0 0 0 -3.7438 1.3708 0.7524 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 2.4372 -0.5208 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.9176 0.5832 -0.0292 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1136 2.9267 0.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 1.7989 -1.5841 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1885 2.3818 0.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 0.9608 2.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 3.7898 -0.8831 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5991 -0.2082 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 -2.9734 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2713 1.1225 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 -3.3597 0.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8593 -1.3003 -2.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7666 -2.0788 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2909 -4.5117 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 -4.2861 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 -3.0384 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6749 -2.9135 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -1.6954 0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7755 -0.3648 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 0.8191 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 2.1520 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 3.3331 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1572 4.6610 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5107 -0.2981 1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.2120 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6797 -3.8378 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -2.6716 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 1.0780 -1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5811 -3.6499 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -2.4829 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -0.6004 -2.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1804 -2.2266 -2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 -0.8965 -2.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 -1.7365 1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 -1.7320 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8505 -3.1704 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 -5.4175 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 -4.7201 1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3532 -4.2258 -1.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2189 -5.1695 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 -2.1558 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5513 -3.0810 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4706 -2.8585 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 -3.8161 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 -1.7987 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 -1.6938 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 -0.2770 -1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 -0.3217 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8115 0.5428 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 3.3167 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 2.3328 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 3.0230 1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 0.7414 1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5908 0.7840 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 2.1812 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6806 2.2368 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 3.2660 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 3.2998 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 4.7740 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 5.4918 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2291 4.7394 0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 2 0 0 0 0 3 12 1 0 0 0 0 4 51 1 0 0 0 0 5 52 1 0 0 0 0 6 53 1 0 0 0 0 7 54 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 M CHG 1 1 1 M END > DB07221 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QCMHKGWUOSRYCF-UHFFFAOYSA-O/SDF?record_type=3d > CCCCCCCCCCCC[P+](C)(C)CC(P(O)(O)=O)P(O)(O)=O > InChI=1S/C16H37O6P3/c1-4-5-6-7-8-9-10-11-12-13-14-23(2,3)15-16(24(17,18)19)25(20,21)22/h16H,4-15H2,1-3H3,(H3-,17,18,19,20,21,22)/p+1 > QCMHKGWUOSRYCF-UHFFFAOYSA-O > C16H38O6P3 > 419.3906 > 419.188123484 > 6 > 63 > -1.3376401543411984 > 43.694151939645394 > 1 > 4 > 1 > 1 > [2-(dodecyldimethylphosphaniumyl)-1-phosphonoethyl]phosphonic acid > 3.02 > 2.7676912280000017 > -3.60 > 0 > -1 > 0 > -1 > 1.9086569326660001 > 1.1528981766304467 > 115.06 > 104.30879999999998 > 15 > 1 > 1.14e-01 g/l > biotin > 0 $$$$