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CHEBI:81244 - hyocholic acid
| Formula | C24H40O5 |
| Net Charge | 0 |
| Average Mass | 408.579 |
| Monoisotopic Mass | 408.28757 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])[C@@H](O)[C@@H](O)[C@@]21[H] |
| InChI | InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1 |
| InChIKey | DKPMWHFRUGMUKF-KWXDGCAGSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| faeces (UBERON:0001988) | PubMed (22664055) | ||
| urine (BTO:0001419) | PubMed (24212143) | ||
| Mus musculus (ncbitaxon:10090) | - | PubMed (3179836) | |
| Rattus norvegicus (ncbitaxon:10116) | - | PubMed (10388717) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus). human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hyocholic acid (CHEBI:81244) has role human urinary metabolite (CHEBI:84087) |
| hyocholic acid (CHEBI:81244) has role mouse metabolite (CHEBI:75771) |
| hyocholic acid (CHEBI:81244) has role rat metabolite (CHEBI:86264) |
| hyocholic acid (CHEBI:81244) is a 6α-hydroxy steroid (CHEBI:36850) |
| hyocholic acid (CHEBI:81244) is a 7α-hydroxy steroid (CHEBI:36843) |
| hyocholic acid (CHEBI:81244) is a C24-steroid (CHEBI:131620) |
| hyocholic acid (CHEBI:81244) is a muricholic acids (CHEBI:134216) |
| hyocholic acid (CHEBI:81244) is conjugate acid of hyocholate (CHEBI:133661) |
| Incoming Relation(s) |
| glycohyocholic acid (CHEBI:133176) has functional parent hyocholic acid (CHEBI:81244) |
| hyocholic acid 24-O-(β-D-glucuronide) (CHEBI:137817) has functional parent hyocholic acid (CHEBI:81244) |
| hyocholic acid 6-O-(β-D-glucuronide) (CHEBI:137829) has functional parent hyocholic acid (CHEBI:81244) |
| taurohyocholic acid (CHEBI:52022) has functional parent hyocholic acid (CHEBI:81244) |
| hyocholate (CHEBI:133661) is conjugate base of hyocholic acid (CHEBI:81244) |
| IUPAC Name |
|---|
| 3α,6α,7α-trihydroxy-5β-cholan-24-oic acid |
| Synonyms | Source |
|---|---|
| Hyocholic acid | KEGG COMPOUND |
| 6alpha-Hydroxychenodeoxycholic acid | KEGG COMPOUND |
| Iocholic acid | KEGG COMPOUND |
| (4R)-4-[(1S,2R,5R,7R,8R,9S,10S,11S,15R)-5,8,9-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid | HMDB |
| gamma-Muricholic acid | HMDB |
| 5b-Cholanic acid-3a,6a,7a-triol | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C17649 | KEGG COMPOUND |
| HMDB0000760 | HMDB |
| LMST04010064 | LIPID MAPS |
| Muricholic_acid | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3221235 | Reaxys |
| CAS:547-75-1 | KEGG COMPOUND |
| CAS:547-75-1 | ChemIDplus |
| Citations |
|---|