EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:83037 - androsterone sulfate
| Formula | C19H30O5S |
| Net Charge | 0 |
| Average Mass | 370.511 |
| Monoisotopic Mass | 370.18140 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)C(=O)CC[C@@]34[H])[C@@]1(C)CC[C@@H](OS(=O)(=O)O)C2 |
| InChI | InChI=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)/t12-,13+,14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | ZMITXKRGXGRMKS-HLUDHZFRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (13916108) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (8987136) |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| androsterone sulfate (CHEBI:83037) has functional parent androsterone (CHEBI:16032) |
| androsterone sulfate (CHEBI:83037) has parent hydride 5α-androstane (CHEBI:28859) |
| androsterone sulfate (CHEBI:83037) has role human metabolite (CHEBI:77746) |
| androsterone sulfate (CHEBI:83037) has role mouse metabolite (CHEBI:75771) |
| androsterone sulfate (CHEBI:83037) is a 17-oxo steroid (CHEBI:19168) |
| androsterone sulfate (CHEBI:83037) is a androstanoid (CHEBI:50402) |
| androsterone sulfate (CHEBI:83037) is a steroid sulfate (CHEBI:16158) |
| androsterone sulfate (CHEBI:83037) is conjugate acid of androsterone sulfate(1−) (CHEBI:133003) |
| Incoming Relation(s) |
| androsterone sulfate(1−) (CHEBI:133003) is conjugate base of androsterone sulfate (CHEBI:83037) |
| IUPAC Name |
|---|
| (5α)-17-oxoandrostan-3α-yl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| 5α-androstane-3α-ol-17-one sulfate | LIPID MAPS |
| 3α-hydroxy-5α-androstan-17-one 3-sulfate | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| HMDB0002759 | HMDB |
| LMST05020001 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2225704 | Reaxys |
| CAS:2479-86-9 | ChemIDplus |
| Citations |
|---|