EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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 Roles: | anti-obesity agent Any substance which is used to reduce or control weight. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| deoxycholic acid (CHEBI:28834) has role analgesic (CHEBI:35480) |
| deoxycholic acid (CHEBI:28834) has role anti-obesity agent (CHEBI:74518) |
| deoxycholic acid (CHEBI:28834) has role antineoplastic agent (CHEBI:35610) |
| 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 |
| INNs | Source |
|---|---|
| acide desoxycholique | WHO MedNet |
| acido desoxicolico | WHO MedNet |
| Synonyms | Source |
|---|---|
| 3alpha,12alpha-Dihydroxy-5beta-cholanic acid | KEGG COMPOUND |
| (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | PDBeChem |
| (3α,5β,12α)-3,12-dihydroxycholan-24-oic acid | ChemIDplus |
| 7α-deoxycholic acid | ChemIDplus |
| ATX-101 (DEOXYCHOLIC ACID) | ChEMBL |
| Deoxycholic acid | KEGG COMPOUND |
| Citations |
|---|