Mrv1652303182019222D 63 63 0 0 1 0 999 V2000 21.8941 -8.9381 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2598 -9.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8534 -8.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9224 -10.3446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5566 -10.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9631 -10.3446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8941 -8.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2191 -10.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9708 -10.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6153 -8.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1011 -9.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5692 -10.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8297 -7.4251 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1583 -6.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0100 -7.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5011 -8.1818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5001 -9.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7902 -10.1228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0711 -9.7183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3614 -10.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6423 -9.7343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9324 -10.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2135 -9.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5036 -10.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7846 -9.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0748 -10.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3557 -9.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -10.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 -9.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2171 -10.2187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 -9.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7882 -10.2347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0691 -9.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 -10.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9484 -10.9608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5787 -10.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8127 -8.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -8.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7701 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0556 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6588 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5168 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2312 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9457 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6602 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3746 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0892 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2326 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9469 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6615 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3760 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0905 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8050 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5195 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2339 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2339 -12.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 -11.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -10.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 6 5 1 1 0 0 0 1 6 1 1 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 17 8 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 18 35 1 6 0 0 0 18 36 1 1 0 0 0 19 37 1 1 0 0 0 19 38 1 6 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 35 1 0 0 0 0 60 61 2 0 0 0 0 39 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > BMDB0000024 > bmdb > [H][C@@](CO[C@@H]1O[C@H](CO)[C@H](O)C(OS(O)(=O)=O)C1O)(NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)\C=C\CCCCCCCCCCCCC > InChI=1S/C48H93NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h35,37,41-43,45-48,50-51,53-54H,3-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b37-35+/t41-,42+,43+,45-,46?,47?,48+/m0/s1 > MEAZTWJVOWHKJM-YQTIZROBSA-N > C48H93NO11S > 892.33 > 891.646933993 > 10 > 154 > 111.08523707937007 > 0 > 6 > 0 > 0 > [(2R,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-tetracosanamidooctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid > 6.01 > 10.926836568225697 > -6.63 > 0 > 1 > -1 > 12.18939610615506 > -1.9115901925718548 > -0.9850048448833623 > 192.08 > 244.98880000000003 > 43 > 0 > 2.09e-04 g/l > C24 sulfatide > 0 > BMDB0000024 > 3-O-Sulfogalactosylceramide (d18:1/24:0) > 3'-O-Sulphogalactosylceramide; 3-O-sulfo-beta-D-galactosylceramide; 3-O-sulfo-beta-delta-galactosylceramide; 3-O-Sulfogalactosylceramide; 3-O-Sulphogalactosylceramide; Cerebroside 3-sulfate; Galactosylceramide-sulfate; Galactosylceramidesulfate; N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-Tetracosanamide; N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-Tetracosanamide; N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecen-1-yl]-Tetracosanamide; N-[(1S,2R,3E)-2-hydroxy-1-[[(3-O-sulfo-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-Tetracosanamide; Sulfatide; Sulfatide (d18:1/24:0); [R-[R*,S*-(E)]]-N-[2-hydroxy-1-[[(3-O-sulfo-b-D-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-Tetracosanamide; [R-[R*,S*-(E)]]-N-[2-hydroxy-1-[[(3-O-sulfo-beta-delta-galactopyranosyl)oxy]methyl]-3-heptadecenyl]-Tetracosanamide $$$$