Ketcher 06081716332D 1 1.00000 0.00000 0 37 40 0 1 0 999 V2000 1.7319 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7319 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 1.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0961 1.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 2.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5799 -0.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4074 2.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -1.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6651 3.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7319 1.5001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 3.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 3.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 2.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 3.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 3.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8606 3.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 3.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1286 4.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 -0.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 5.2977 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8607 4.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4946 6.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 6.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 1 24 1 1 0 0 2 1 1 0 0 0 4 3 1 0 0 0 5 4 1 0 0 0 5 22 1 1 0 0 5 6 1 0 0 0 6 7 1 0 0 0 8 2 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 3 9 1 0 0 0 9 19 1 1 0 0 1 10 1 0 0 0 9 10 1 0 0 0 11 10 1 0 0 0 10 33 1 6 0 0 11 12 1 0 0 0 12 13 1 0 0 0 14 13 1 0 0 0 17 13 1 0 0 0 13 18 1 1 0 0 15 14 1 0 0 0 14 20 1 6 0 0 16 15 1 0 0 0 16 17 1 0 0 0 29 17 1 0 0 0 17 21 1 6 0 0 29 23 1 6 0 0 28 25 1 0 0 0 31 25 1 0 0 0 31 26 1 0 0 0 27 26 1 0 0 0 30 26 1 0 0 0 28 29 1 0 0 0 31 32 1 6 0 0 32 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 34 37 2 0 0 0 M CHG 1 35 -1 M END > CHEBI:136566 > (24S)-hydroxycholesterol 24-sulfate(1-) > A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of (24S)-hydroxycholesterol 24-sulfate. > 3 > (24S)-hydroxycholesterol 24-sulfate > (3beta,24S)-3-hydroxycholest-5-en-24-yl sulfate > C27H45O5S > 481.710 > 481.29932 > -1 > [C@@]12([C@]3([C@](CC[C@@]1([C@@]4(C(C[C@H](CC4)O)=CC2)C)[H])([C@](CC3)([C@H](C)CC[C@@H](C(C)C)OS([O-])(=O)=O)[H])C)[H])[H] > InChI=1S/C27H46O5S/c1-17(2)25(32-33(29,30)31)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28H,6,8-16H2,1-5H3,(H,29,30,31)/p-1/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1 > ZNASARDBUYPQRC-XWXSNNQWSA-M > 19589875 $$$$