LMST05050059 LIPID_MAPS_STRUCTURE_DATABASE 53 56 0 0 0 999 V2000 18.6891 8.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6832 10.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7455 9.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7551 8.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6306 9.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6267 8.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5018 8.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5056 9.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5701 10.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6860 9.0776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6231 10.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5583 11.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4911 12.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5448 12.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4049 11.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3223 12.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2362 11.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1535 11.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6256 7.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2362 10.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8232 8.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8232 7.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7551 6.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6891 7.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8974 8.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9714 8.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9714 7.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8974 6.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8034 9.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 6.6525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3068 10.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7330 11.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7551 7.9642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3257 12.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9673 13.4176 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 24.5553 14.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8494 13.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0852 13.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2550 7.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4644 6.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6736 7.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8829 6.6525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0922 7.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3015 6.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5109 7.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7201 6.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 7.1090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3696 6.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8301 6.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0633 6.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1972 7.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3312 6.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4652 7.1088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 5 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 6 7 1 0 0 0 0 1 10 1 1 0 0 0 5 11 1 1 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 6 19 1 6 0 0 0 17 20 1 0 0 0 0 4 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 21 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 22 1 0 0 0 0 21 29 1 1 0 0 0 27 30 1 1 0 0 0 9 31 1 6 0 0 0 12 32 1 6 0 0 0 4 33 1 6 0 0 0 16 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 35 38 2 0 0 0 0 30 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 24 48 1 6 0 0 0 22 49 1 6 0 0 0 47 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 M END > LMST05050059 > Trodusquemine > 3beta-(N-[3-[4-(3-aminopropylamino)butylamino]propylamino])-7alpha,24R-dihydroxy-5alpha-cholestane 24-sulfate > C37H72N4O5S > 684.52 > Sterol Lipids [ST] > Steroid conjugates [ST05] > Other Steroid conjugates [ST0505] > - > MSI-1436 > WUJVPODXELZABP-FWJXURDUSA-N > InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1 > [C@]12([C@H](O)C[C@@]3([H])C[C@@H](NCCCNCCCCNCCCN)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC[C@@H](OS(=O)(=O)O)C(C)C)CC[C@@]21[H])[H] > - > - > 177502 > - > - > - > 9917968 > - > Sterol Lipids [ST]; Sterol Lipids [ST] > Steroid conjugates [ST05]; Sterols [ST01] > Sulfates [ST0502]; Cholesterol and derivatives [ST0101] > -; - > 7797 > 10843574 $$$$