Search MNXref
 Feedback

17beta-estradiol 3-sulfate

MNXM733899 is deprecated and here replaced by MNXM1371533
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371533 Image of MNXM1371533
referencechebi:136582
formulaC18H23O5S
global charge-1
mol weight351.444
InChIKeyQZIGLSSUDXBTLJ-ZBRFXRBCSA-M
InChIInChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,17+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=CC=C(OS(=O)(=O)[O-])C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1 Image of MNXM1371533
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([O:23][S:24]([OH:20])(=[O:21])=[O:22])[CH:10]=[C:11]4[CH2:2][CH2:4][C@H:15]3[C@@H:16]1[CH2:6][CH2:7][C@@H:17]2[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136582
chebi:136582
QZIGLSSUDXBTLJ-ZBRFXRBCSA-M 		17beta-estradiol 3-sulfate
(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl sulfate
17beta-estradiol 3-sulfate(1-)
17beta-hydroxyestra-1(10),2,4-trien-3-yl sulfate
hmdb:HMDB0004448
QZIGLSSUDXBTLJ-ZBRFXRBCSA-N 		17beta-Estradiol 3-sulfate
(17b)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate
(17b)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfuric acid
(17b)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulphate
(17b)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulphuric acid
(17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate
(17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfuric acid
(17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulphate
(17beta)-17-Hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulphuric acid
(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate
(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfuric acid
(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulphate
(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulphuric acid
17b-Estradiol 3-sulfate
17b-Estradiol 3-sulfuric acid
17b-Estradiol 3-sulphate
17b-Estradiol 3-sulphuric acid
17b-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
17b-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfuric acid
17b-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulphate
17b-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulphuric acid
17beta-Estradiol 3-sulfuric acid
17beta-Estradiol 3-sulphate
17beta-Estradiol 3-sulphuric acid
17beta-Estradiol sulfate
17beta-Estradiol sulphate
17beta-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
17beta-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfuric acid
17beta-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulphate
17beta-Hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulphuric acid
17beta-estradiol 3-sulfate
17beta-estradiol 3-sulfuric acid
17beta-estradiol 3-sulphate
17beta-estradiol 3-sulphuric acid
17beta-estradiol sulfate
17beta-estradiol sulphate
17beta-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
17beta-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfuric acid
17beta-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulphate
17beta-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulphuric acid
Estradiol 3-sulfate
Estradiol 3-sulfuric acid
Estradiol 3-sulphate
Estradiol 3-sulphuric acid
Estradiol-17b 3-sulfate
Estradiol-17b 3-sulfuric acid
Estradiol-17b 3-sulphate
Estradiol-17b 3-sulphuric acid
Estradiol-17beta 3-sulfate
Estradiol-17beta 3-sulfuric acid
Estradiol-17beta 3-sulphate
Estradiol-17beta 3-sulphuric acid
Estradiol-3-sulfate
Estradiol-3-sulfuric acid
Estradiol-3-sulphate
Estradiol-3-sulphuric acid
[(1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-5-yl]oxidanesulfonic acid

SLM:000597765
slm:000597765
QZIGLSSUDXBTLJ-ZBRFXRBCSA-M 		17beta-estradiol 3-sulfate

reactome:R-ALL-176492
reactomeM:R-ALL-176492
CHEBI:4866
chebi:4866
QZIGLSSUDXBTLJ-ZBRFXRBCSA-N 		17beta-estradiol 3-sulfate
(17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate
17beta-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate
17beta-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
Estradiol-17beta 3-sulfate
estradiol 3-sulphate
estradiol-3-sulfate

seed.compound:cpd05271
seedM:cpd05271
sabiork.compound:10453
sabiorkM:10453
kegg.compound:C08357
keggC:C08357
QZIGLSSUDXBTLJ-ZBRFXRBCSA-M
QZIGLSSUDXBTLJ-ZBRFXRBCSA-N 		Estradiol-17beta 3-sulfate

lipidmaps:LMST05020005
lipidmapsM:LMST05020005
QZIGLSSUDXBTLJ-ZBRFXRBCSA-N 		Estradiol-17beta 3-sulfate
O2
S
ST 18:3
estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate

hmdb:HMDB04448
keggC:M_C08357
seedM:M_cpd05271 		secondary/obsolete/fantasy identifier