MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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testosterone 17-sulfate

	Properties	Image
MNX_ID	MNXM12985
reference	chebi:190489
formula	C₁₉H₂₇O₅S
global charge	-1
mol weight	367.487
InChIKey	WAQBISPOEAOCOG-DYKIIFRCSA-M
InChI	InChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/p-1/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OS(=O)(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES (mnx)	[CH3:1][C@:18]12[CH2:9][CH2:7][C:13](=[O:20])[CH:11]=[C:12]1[CH2:3][CH2:4][C@H:14]1[C@@H:15]3[CH2:5][CH2:6][C@H:17]([O:24][S:25]([OH:21])(=[O:22])=[O:23])[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)	3
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:190489 chebi:190489 WAQBISPOEAOCOG-DYKIIFRCSA-M	testosterone 17-sulfate 3-oxoandrost-4-en-17beta-yl sulfate testosterone sulfate anion testosterone sulfate(1-)
hmdb:HMDB0002833 WAQBISPOEAOCOG-DYKIIFRCSA-N	Testosterone sulfate 17 beta Hydroxy 4 androsten 3 one 17 beta Hydroxy 8 alpha 4 androsten 3 one 17-O-Sulfotestosterone 17-beta-Hydroxy-4-androsten-3-one 17-beta-Hydroxy-8 alpha-4-androsten-3-one 17beta-(Sulfooxy)androst-4-en-3-one 8 Isotestosterone 8-Isotestosterone AndroGel Androderm Andropatch Androtop AstraZeneca brand OF testosterone Auxilium pharmaceuticals inc. brand OF testosterone Bartor brand OF testosterone CEPA brand OF testosterone Dr. kade brand OF testosterone Faulding brand OF testosterone Ferring brand OF testosterone GlaxoSmithKline brand OF testosterone Hauck brand OF testosterone Histerone Ortho brand OF testosterone Paladin brand OF testosterone Pasadena brand OF testosterone Schering brand OF testosterone SmithKline beecham brand OF testosterone Solvay brand OF testosterone Sterotate Sustanon Testim Testoderm Testolin Testopel Testosterone Testosterone 17-sulfate Testosterone 17-sulphate Testosterone 17b-sulfate Testosterone 17b-sulphate Testosterone hydrogen sulfate Testosterone hydrogen sulphate Testosterone monosulfate Testosterone monosulphate Testosterone sulfuric acid Testosterone sulphate Testosterone sulphuric acid Testosterone-17-sulfate Testosterone-17-sulfate, (17alpha)-isomer Testosterone-17-sulfate, ammonium salt Testosterone-17-sulfate, sodium salt Testosterone-17-sulphate Testosterone-17b-sulfate Testosterone-17b-sulfuric acid Testosterone-17b-sulphate Testosterone-17b-sulphuric acid Testosterone-17beta-sulfate Testosterone-17beta-sulfuric acid Testosterone-17beta-sulphate Testosterone-17beta-sulphuric acid Ulmer brand OF testosterone Unimed brand OF testosterone Watson brand OF testosterone [(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]oxidanesulfonic acid testosterone sulfate
lipidmaps:LMST05020032 lipidmapsM:LMST05020032 WAQBISPOEAOCOG-DYKIIFRCSA-N	Testosterone sulfate O2 S ST 19:2
bigg.metabolite:tststerones biggM:tststerones WAQBISPOEAOCOG-DYKIIFRCSA-M	Tststerones c
metacyc.compound:CPD-21813 metacycM:CPD-21813 CHEBI:84094 chebi:84094 WAQBISPOEAOCOG-DYKIIFRCSA-M WAQBISPOEAOCOG-DYKIIFRCSA-N	testosterone sulfate (17beta)-3-oxoandrost-4-en-17-yl hydrogen sulfate testosterone-17beta-sulfate
vmhM:tststerones vmhmetabolite:tststerones WAQBISPOEAOCOG-DYKIIFRCSA-M	testosterone sulfate [(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]oxidanesulfonic acid
hmdb:HMDB02833 biggM:M_tststerones vmhM:M_tststerones	secondary/obsolete/fantasy identifier