Ketcher 08121615302D 1 1.00000 0.00000 0 29 32 0 1 0 999 V2000 14.3614 -10.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -7.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -10.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6293 -10.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7632 -8.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3614 -7.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7632 -10.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8974 -9.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8974 -10.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0312 -10.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6293 -11.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1785 -9.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7662 -8.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1785 -7.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4875 -6.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -8.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -9.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3614 -9.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3614 -8.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6293 -9.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6293 -8.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2274 -7.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2274 -6.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2274 -8.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2274 -9.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1651 -10.3565 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2991 -10.8566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6651 -9.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -9.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 16 1 0 0 0 24 18 1 0 0 0 18 1 1 0 0 0 16 20 1 0 0 0 16 2 1 0 0 0 1 3 1 0 0 0 20 4 1 0 0 0 20 5 1 0 0 0 2 6 1 0 0 0 4 7 1 0 0 0 5 8 1 0 0 0 7 9 1 0 0 0 9 10 1 6 0 0 22 6 1 0 0 0 4 3 1 0 0 0 8 9 1 0 0 0 4 11 1 6 0 0 22 14 1 0 0 0 24 22 1 0 0 0 24 12 1 0 0 0 14 13 1 0 0 0 12 13 1 0 0 0 14 15 2 0 0 0 16 17 1 6 0 0 18 19 1 1 0 0 20 21 1 1 0 0 22 23 1 1 0 0 24 25 1 6 0 0 10 26 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 26 29 2 0 0 0 M CHG 1 27 -1 M END > CHEBI:133003 > androsterone sulfate(1-) > A steroid sulfate oxoanion that is the conjugate base of androsterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. > 3 > androsterone sulfate anion; androsterone 3-alpha-sulfate; (3alpha,5alpha)-17-oxoandrostan-3-yl sulfate > 17-oxo-5alpha-androstan-3alpha-yl sulfate > C19H29O5S > 369.497 > 369.17412 > -1 > C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS([O-])(=O)=O)CC3)(C1)[H])C)(CC[C@@]4(C(CC[C@@]24[H])=O)C)[H])[H] > InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/p-1/t12-,13+,14-,15-,16-,18-,19-/m0/s1 > ZMITXKRGXGRMKS-HLUDHZFRSA-M $$$$