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CHEBI:36234 - chenodeoxycholate
| Formula | C24H39O4 |
| Net Charge | -1 |
| Average Mass | 391.572 |
| Monoisotopic Mass | 391.28538 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)[O-])[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey | RUDATBOHQWOJDD-BSWAIDMHSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chenodeoxycholate (CHEBI:36234) has role human metabolite (CHEBI:77746) |
| chenodeoxycholate (CHEBI:36234) is a bile acid anion (CHEBI:36235) |
| chenodeoxycholate (CHEBI:36234) is a cholanic acid anion (CHEBI:131878) |
| chenodeoxycholate (CHEBI:36234) is conjugate base of chenodeoxycholic acid (CHEBI:16755) |
| Incoming Relation(s) |
| chenodeoxycholate 3-sulfate(2−) (CHEBI:234532) has functional parent chenodeoxycholate (CHEBI:36234) |
| chenodeoxycholate 7-sulfate(2−) (CHEBI:172395) has functional parent chenodeoxycholate (CHEBI:36234) |
| chenodeoxycholate-3-O-β-D-glucoside(1−) (CHEBI:142610) has functional parent chenodeoxycholate (CHEBI:36234) |
| chenodeoxycholic acid (CHEBI:16755) is conjugate acid of chenodeoxycholate (CHEBI:36234) |
| IUPAC Name |
|---|
| 3α,7α-dihydroxy-5β-cholan-24-oate |
| Synonyms | Source |
|---|---|
| chenodeoxycholate(1−) | ChEBI |
| chenodeoxycholate anion | ChEBI |
| UniProt Name | Source |
|---|---|
| chenodeoxycholate | UniProt |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3703074 | Beilstein |