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CHEBI:16755 - chenodeoxycholic acid
| Formula | C24H40O4 |
| Net Charge | 0 |
| Average Mass | 392.580 |
| Monoisotopic Mass | 392.29266 |
| 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)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey | RUDATBOHQWOJDD-BSWAIDMHSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | |||
| - | PubMed (11530998) | ||
| - | PubMed (19425150) | Source: BioModels - MODEL1507180067 | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (16037564) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| 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) |
| chenodeoxycholic acid (CHEBI:16755) has role human metabolite (CHEBI:77746) |
| chenodeoxycholic acid (CHEBI:16755) has role mouse metabolite (CHEBI:75771) |
| chenodeoxycholic acid (CHEBI:16755) is a bile acid (CHEBI:3098) |
| chenodeoxycholic acid (CHEBI:16755) is a C24-steroid (CHEBI:131620) |
| chenodeoxycholic acid (CHEBI:16755) is a dihydroxy-5β-cholanic acid (CHEBI:23775) |
| chenodeoxycholic acid (CHEBI:16755) is conjugate acid of chenodeoxycholate (CHEBI:36234) |
| Incoming Relation(s) |
| 3-oxochenodeoxycholoyl-CoA (CHEBI:137532) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| chenodeoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137790) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| chenodeoxycholic acid 3-O-(β-D-glucuronide) (CHEBI:137725) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| chenodeoxycholic acid-3-O-β-D-glucoside (CHEBI:229688) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| chenodeoxycholoyl-CoA (CHEBI:28701) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| glycochenodeoxycholic acid (CHEBI:36274) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| obeticholic acid (CHEBI:43602) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| taurochenodeoxycholic acid (CHEBI:16525) has functional parent chenodeoxycholic acid (CHEBI:16755) |
| chenodeoxycholate (CHEBI:36234) is conjugate base of chenodeoxycholic acid (CHEBI:16755) |
| IUPAC Name |
|---|
| 3α,7α-dihydroxy-5β-cholan-24-oic acid |
| Synonyms | Source |
|---|---|
| 3alpha,7alpha-Dihydroxy-5beta-cholanic acid | KEGG COMPOUND |
| 7α-hydroxylithocholic acid | ChemIDplus |
| anthropodeoxycholic acid | ChemIDplus |
| chenic acid | ChemIDplus |
| gallodesoxycholic acid | ChemIDplus |
| Chenodeoxycholic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C02528 | KEGG COMPOUND |
| D00163 | KEGG DRUG |
| LMST04010032 | LIPID MAPS |
| Chenodiol | Wikipedia |
| DB06777 | DrugBank |
| HMDB0000518 | HMDB |
| JN3 | PDBeChem |
| LSM-5353 | LINCS |
| 4361 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3219887 | Reaxys |
| CAS:474-25-9 | KEGG COMPOUND |
| CAS:474-25-9 | ChemIDplus |
| Citations |
|---|