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androst-5-ene-diol 3-sulfate

PropertiesImage
MNX_IDMNXM166272 Image of MNXM166272
referencechebi:190287
formulaC19H29O5S
global charge-1
mol weight369.503
InChIKeyHXJFCUUBVWOORF-LOVVWNRFSA-M
InChIInChI=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/h3,13-17,20H,4-11H2,1-2H3,(H,21,22,23)/p-1/t13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/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/h3,13-17,20H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,17-,18-,19-/m0/s1 Image of MNXM166272
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:7][C@H:13]([O:24][S:25]([OH:21])(=[O:22])=[O:23])[CH2:11][C:12]1=[CH:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([OH:20])[C@@:19]3([CH3:2])[CH2:10][CH2:8][C@@H:16]12
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:190287
chebi:190287
HXJFCUUBVWOORF-LOVVWNRFSA-M 		androst-5-ene-diol 3-sulfate
17beta-hydroxyandrost-5-ene-3-sulfate(1-)
androstenediol 3-sulfate(1-)

sabiork.compound:28335
sabiorkM:28335
HXJFCUUBVWOORF-LOVVWNRFSA-N 		3beta,17alpha-Dihydroxyandrost-5-ene sulfate