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CHEBI:191192 - 17β-estradiol 17-sulfate
| Formula | C18H24O5S |
| Net Charge | 0 |
| Average Mass | 352.452 |
| Monoisotopic Mass | 352.13444 |
| SMILES | [H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OS(=O)(=O)O)CC[C@@]21[H] |
| InChI | InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1 |
| InChIKey | JSUDNGPWAXYETN-ZBRFXRBCSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Role: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| 17β-estradiol 17-sulfate (CHEBI:191192) has functional parent 17β-estradiol (CHEBI:16469) |
| 17β-estradiol 17-sulfate (CHEBI:191192) has role human urinary metabolite (CHEBI:84087) |
| 17β-estradiol 17-sulfate (CHEBI:191192) is a 3-hydroxy steroid (CHEBI:36834) |
| 17β-estradiol 17-sulfate (CHEBI:191192) is a phenolic steroid (CHEBI:177917) |
| 17β-estradiol 17-sulfate (CHEBI:191192) is a steroid sulfate (CHEBI:16158) |
| 17β-estradiol 17-sulfate (CHEBI:191192) is conjugate acid of 17β-estradiol 17-sulfate(1−) (CHEBI:190469) |
| Incoming Relation(s) |
| 17β-estradiol 17-sulfate(1−) (CHEBI:190469) is conjugate base of 17β-estradiol 17-sulfate (CHEBI:191192) |
| IUPAC Name |
|---|
| 3-hydroxyestra-1(10),2,4-trien-17β-yl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| (17β)-estra-1,3,5(10)-triene-3,17-diol 17-(hydrogen sulfate) | ChEBI |
| 17β-estradiol 17-sulfate | ChEBI |
| 17β-estradiol-17-sulfate | ChEBI |
| 3,17β-dihydroxyestra-1,3,5(10)-triene 17-sulfate | ChEBI |
| estra-1,3,5(10)-triene-3,17β-diol 17β-(hydrogen sulfate) | ChEBI |
| estradiol 17-(hydrogen sulfate) | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 59802 | ChemSpider |
| Estradiol_17%CE%B2-sulfate | Wikipedia |
| HMDB0251958 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:3233-69-0 | ChemIDplus |
| Citations |
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