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17beta-estradiol 3-sulfate

MNXM733899 is deprecated and replaced by MNXM733895

Properties

Image

Occurences in reactions

MNX_ID

MNXM733895

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

formula

C₁₈H₂₃O₅S

charge

-1

mass

351.12717

reference

chebi:136582

InChIKey

QZIGLSSUDXBTLJ-ZBRFXRBCSA-M

InChI

InChI=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

SMILES

C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:136582 chebi:136582	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
reactome:R-ALL-176492 reactomeM:R-ALL-176492 CHEBI:4866 chebi:4866	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
sabiork.compound:10453 sabiorkM:10453 seed.compound:cpd05271 seedM:cpd05271 kegg.compound:C08357 keggC:C08357	Estradiol-17beta 3-sulfate
lipidmaps:LMST05020005 lipidmapsM:LMST05020005	Estradiol-17beta 3-sulfate O2 S ST 18:3 estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate
keggC:M_C08357 seedM:M_cpd05271	secondary/obsolete/fantasy identifier