Ketcher 09031511062D 1 1.00000 0.00000 0 29 32 0 1 0 999 V2000 16.5023 -8.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6364 -5.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3193 -6.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6364 -8.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 -8.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9042 -6.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5023 -5.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3193 -5.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9071 -6.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9042 -8.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0381 -7.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6284 -4.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0381 -8.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5023 -7.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5023 -6.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6364 -6.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6364 -7.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3684 -6.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3684 -7.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 -7.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 -6.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3684 -5.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3684 -4.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1721 -8.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9071 -6.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3061 -8.1309 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 -8.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8061 -7.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8061 -7.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 16 1 0 0 0 18 14 1 0 0 0 14 1 1 0 0 0 16 20 1 0 0 0 16 2 1 0 0 0 18 22 1 0 0 0 18 3 1 0 0 0 1 4 1 0 0 0 20 5 1 0 0 0 20 6 1 0 0 0 2 7 1 0 0 0 22 8 1 0 0 0 3 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 8 12 2 0 0 0 10 13 1 0 0 0 13 24 1 1 0 0 22 7 1 0 0 0 4 5 2 0 0 0 8 9 1 0 0 0 11 13 1 0 0 0 14 15 1 1 0 0 16 17 1 6 0 0 18 19 1 6 0 0 20 21 1 1 0 0 22 23 1 1 0 0 9 25 1 6 0 0 24 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:87538 > 16alpha-hydroxydehydroepiandrosterone 3-sulfate(1-) > A steroid sulfate oxoanion that is the conjugate base of 16α-hydroxydehydroepiandrosterone 3-sulfate, arising from deprotonation of the sulfate OH group; major species at pH 7.3. > 3 > 16-alpha-hydroxydehydroepiandrosterone 3-sulfate; 16alpha-hydroxy-DHEA 3-sulfate; 16a-hydroxy DHEA 3-sulfate; (3beta,16alpha)-16-hydroxy-17-oxoandrost-5-en-3-yl sulfate; (3beta)-16alpha-hydroxy-17-oxoandrost-5-en-3-yl sulfate > 16alpha-hydroxy-17-oxoandrost-5-en-3beta-yl sulfate > C19H27O6S > 383.481 > 383.15338 > -1 > C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS([O-])(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(C[C@H](C4=O)O)[H])C)[H])[H] > InChI=1S/C19H28O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/p-1/t12-,13+,14-,15-,16+,18-,19-/m0/s1 > ALBNSVAJDFJRKQ-DNKQKWOHSA-M > 17178770 $$$$