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CHEBI:29747 - cholate
| Formula | C24H39O5 |
| Net Charge | -1 |
| Average Mass | 407.571 |
| Monoisotopic Mass | 407.28030 |
| 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)CCC(=O)[O-])[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| InChIKey | BHQCQFFYRZLCQQ-OELDTZBJSA-M |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| 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) |
| cholate (CHEBI:29747) has role human metabolite (CHEBI:77746) |
| cholate (CHEBI:29747) has role mouse metabolite (CHEBI:75771) |
| cholate (CHEBI:29747) is a bile acid anion (CHEBI:36235) |
| cholate (CHEBI:29747) is a cholanic acid anion (CHEBI:131878) |
| cholate (CHEBI:29747) is conjugate base of cholic acid (CHEBI:16359) |
| Incoming Relation(s) |
| cholate salt (CHEBI:23169) has part cholate (CHEBI:29747) |
| cholic acid (CHEBI:16359) is conjugate acid of cholate (CHEBI:29747) |
| IUPAC Name |
|---|
| 3α,7α,12α-trihydroxy-5β-cholan-24-oate |
| Synonym | Source |
|---|---|
| 3α,7α,12α-trihydroxy-5β-cholanate | ChEBI |
| UniProt Name | Source |
|---|---|
| cholate | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3915750 | Reaxys |