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epiandrosterone 3-sulfate

PropertiesImage
MNX_IDMNXM155745 Image of MNXM155745
referencechebi:133729
formulaC19H29O5S
global charge-1
mol weight369.503
InChIKeyZMITXKRGXGRMKS-LUJOEAJASA-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/h12-16H,3-11H2,1-2H3,(H,21,22,23)/p-1/t12-,13-,14-,15-,16-,18-,19-/m0/s1
SMILESC[C@]12CC[C@H](OS(=O)(=O)[O-])C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
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/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13-,14-,15-,16-,18-,19-/m0/s1 Image of MNXM155745
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@@H:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C:17](=[O: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)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133729
chebi:133729
ZMITXKRGXGRMKS-LUJOEAJASA-M 		epiandrosterone 3-sulfate
(3beta,5alpha)-17-oxoandrostan-3-yl sulfate
17-oxo-5alpha-androstan-3beta-yl sulfate
epiandrosterone sulfate anion
epiandrosterone sulfate(1-)
hmdb:HMDB0062657
ZMITXKRGXGRMKS-LUJOEAJASA-N 		Epiandrosterone sulfate
(3b,5a)-17-Oxoandrostan-3-yl hydrogen sulfate
(3b,5a)-17-Oxoandrostan-3-yl hydrogen sulfuric acid
(3b,5a)-17-Oxoandrostan-3-yl hydrogen sulphate
(3b,5a)-17-Oxoandrostan-3-yl hydrogen sulphuric acid
(3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulfate
(3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulfuric acid
(3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulphate
(3beta,5alpha)-17-Oxoandrostan-3-yl hydrogen sulphuric acid
(3beta,5alpha)-17-oxoandrostan-3-yl hydrogen sulfate
(3beta,5alpha)-17-oxoandrostan-3-yl hydrogen sulfuric acid
(3beta,5alpha)-17-oxoandrostan-3-yl hydrogen sulphate
(3beta,5alpha)-17-oxoandrostan-3-yl hydrogen sulphuric acid
3beta,5alpha)-3-(Sulfooxy)androstan-17-one
3beta-Hydroxy-5alpha-androstan-17-one 3-sulfate
3beta-Hydroxy-5alpha-androstan-17-one monosulfate
3beta-Hydroxy-5alpha-androstan-17-one sulfate
3beta-Sulfate-5alpha-androstan-17-one
Epi-Androsterone sulfate
Epiandrosterone 3beta-sulfate
Epiandrosterone sulfuric acid
Epiandrosterone sulphate
Epiandrosterone sulphuric acid
Isoandrosterone sulfate
[(1S,2S,5S,7S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid

CHEBI:83040
chebi:83040
ZMITXKRGXGRMKS-LUJOEAJASA-N 		epiandrosterone sulfate
(3beta,5alpha)-17-oxoandrostan-3-yl hydrogen sulfate
17-oxo-5alpha-androstan-3beta-yl hydrogen sulfate

hmdb:HMDB62657 		secondary/obsolete/fantasy identifier