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CHEBI:28834 - deoxycholic acid
| Formula | C24H40O4 |
| Net Charge | 0 |
| Average Mass | 392.580 |
| Monoisotopic Mass | 392.29266 |
| SMILES | [H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2 |
| InChI | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey | KXGVEGMKQFWNSR-LLQZFEROSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | MetaboLights (MTBLS90) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| deoxycholic acid (CHEBI:28834) has role human blood serum metabolite (CHEBI:85234) |
| deoxycholic acid (CHEBI:28834) is a bile acid (CHEBI:3098) |
| deoxycholic acid (CHEBI:28834) is a C24-steroid (CHEBI:131620) |
| deoxycholic acid (CHEBI:28834) is a dihydroxy-5β-cholanic acid (CHEBI:23775) |
| deoxycholic acid (CHEBI:28834) is conjugate acid of deoxycholate (CHEBI:23614) |
| Incoming Relation(s) |
| 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid (CHEBI:73926) has functional parent deoxycholic acid (CHEBI:28834) |
| deoxycholic acid 24-O-(β-D-glucuronide) (CHEBI:137799) has functional parent deoxycholic acid (CHEBI:28834) |
| deoxycholic acid 3-glucuronide (CHEBI:145757) has functional parent deoxycholic acid (CHEBI:28834) |
| deoxycholic acid glucuronide (CHEBI:233495) has functional parent deoxycholic acid (CHEBI:28834) |
| deoxycholic acid monosulfate (CHEBI:233496) has functional parent deoxycholic acid (CHEBI:28834) |
| deoxycholoyl-CoA (CHEBI:50111) has functional parent deoxycholic acid (CHEBI:28834) |
| glycodeoxycholic acid (CHEBI:27471) has functional parent deoxycholic acid (CHEBI:28834) |
| taurodeoxycholic acid (CHEBI:9410) has functional parent deoxycholic acid (CHEBI:28834) |
| deoxycholic acid-2,2,4,4-d4 (CHEBI:192782) is a deoxycholic acid (CHEBI:28834) |
| deoxycholate (CHEBI:23614) is conjugate base of deoxycholic acid (CHEBI:28834) |
| IUPAC Name |
|---|
| 3α,12α-dihydroxy-5β-cholan-24-oic acid |
| Synonyms | Source |
|---|---|
| Deoxycholic acid | KEGG COMPOUND |
| 3alpha,12alpha-Dihydroxy-5beta-cholanic acid | KEGG COMPOUND |
| 7α-deoxycholic acid | ChemIDplus |
| (3α,5β,12α)-3,12-dihydroxycholan-24-oic acid | ChemIDplus |
| (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | PDBeChem |
| Desoxycholsäure | ChEBI |