loading...| Preferred Name |
deoxycholic acid |
|
| Synonyms |
Deoxycholic acid 3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid 7alpha-deoxycholic acid Desoxycholsaeure (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid desoxycholic acid (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID 3alpha,12alpha-Dihydroxy-5beta-cholanic acid |
|
| Definitions |
A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28834 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:83-44-3 KEGG:C04483 DrugBank:DB03619 KNApSAcK:C00030117 LINCS:LSM-5529 PDBeChem:DXC Gmelin:670078 Beilstein:3219882 Drug_Central:4988 LIPID_MAPS_instance:LMST04010040 |
|
| definition |
A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. |
|
| formula |
C24H40O4 |
|
| has role | ||
| has_alternative_id |
CHEBI:23616 CHEBI:1687 CHEBI:42317 |
|
| has_exact_synonym |
Deoxycholic acid 3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
7alpha-deoxycholic acid Desoxycholsaeure (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid desoxycholic acid (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID 3alpha,12alpha-Dihydroxy-5beta-cholanic acid |
|
| id |
CHEBI:28834 |
|
| in_subset | ||
| 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 |
|
| is conjugate acid of | ||
| label |
deoxycholic acid |
|
| mass |
392.57200 |
|
| monoisotopicmass |
392.29266 |
|
| notation |
CHEBI:28834 |
|
| prefLabel |
deoxycholic acid |
|
| smiles |
[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(O)=O)[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_131620 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_131620 |