EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:28919 - estrone 3-O-(β-D-glucuronide)
| Formula | C24H30O8 |
| Net Charge | 0 |
| Average Mass | 446.496 |
| Monoisotopic Mass | 446.19407 |
| SMILES | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3CC[C@@]21[H] |
| InChI | InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1 |
| InChIKey | FJAZVHYPASAQKM-JBAURARKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) has functional parent estrone (CHEBI:17263) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) has role human metabolite (CHEBI:77746) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) has role mouse metabolite (CHEBI:75771) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) is a 17-oxo steroid (CHEBI:19168) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) is a steroid glucosiduronic acid (CHEBI:26763) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) is a β-D-glucosiduronic acid (CHEBI:15341) |
| estrone 3-O-(β-D-glucuronide) (CHEBI:28919) is conjugate acid of estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) |
| Incoming Relation(s) |
| estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is conjugate base of estrone 3-O-(β-D-glucuronide) (CHEBI:28919) |
| IUPAC Name |
|---|
| 17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid |
| Synonyms | Source |
|---|---|
| Estrone glucuronide | KEGG COMPOUND |
| Estrone 3-glucuronide | KEGG COMPOUND |
| estrone 3-glucosiduronic acid | ChEBI |
| Estrone beta-D-glucuronide | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11133 | KEGG COMPOUND |
| LMST05010011 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:2479-90-5 | KEGG COMPOUND |
| Citations |
|---|