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CHEBI:50109 - 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate
| Formula | C24H42O7S |
| Net Charge | 0 |
| Average Mass | 474.660 |
| Monoisotopic Mass | 474.26512 |
| SMILES | [H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCOS(=O)(=O)O)[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C24H42O7S/c1-14(5-4-10-31-32(28,29)30)17-6-7-18-22-19(13-21(27)24(17,18)3)23(2)9-8-16(25)11-15(23)12-20(22)26/h14-22,25-27H,4-13H2,1-3H3,(H,28,29,30)/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1 |
| InChIKey | BKZKSSHAWFCVDU-JLIFGLSWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109) has functional parent 5α-cholane-3α,7α,12α,24-tetrol (CHEBI:50108) |
| 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109) is a steroid sulfate (CHEBI:16158) |
| 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109) is conjugate acid of 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate(1−) (CHEBI:58809) |
| Incoming Relation(s) |
| 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate(1−) (CHEBI:58809) is conjugate base of 3α,7α,12α-trihydroxy-5α-cholan-24-yl sulfate (CHEBI:50109) |
| IUPAC Name |
|---|
| 3α,7α,12α-trihydroxy-5α-cholan-24-yl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| Petromyzonol 24-sulfate | KEGG COMPOUND |
| 5alpha-Cholan-3alpha,7alpha,12alpha-triol 24-sulfate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C16259 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:9677191 | Beilstein |