loading...| Preferred Name | chenodeoxycholic acid | |
| Synonyms |
anthropodesoxycholic acid 7alpha-hydroxylithocholic acid 3alpha,7alpha-Dihydroxy-5beta-cholanic acid chenic acid gallodesoxycholic acid anthropodeoxycholic acid CDCA Chenix Chenodiol 3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid Chenodeoxycholic acid |
|
| Definitions |
A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16755 |
|
| alternative label |
anthropodesoxycholic acid 7alpha-hydroxylithocholic acid 3alpha,7alpha-Dihydroxy-5beta-cholanic acid chenic acid gallodesoxycholic acid anthropodeoxycholic acid CDCA Chenix Chenodiol 3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid Chenodeoxycholic acid |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:3219887 PMID:24448653 PMID:16037564 CAS:474-25-9 LIPID_MAPS_instance:LMST04010032 PMID:11530998 HMDB:HMDB0000518 Wikipedia:Chenodiol Drug_Central:4361 KEGG:D00163 PMID:24464484 KEGG:C02528 PDBeChem:JN3 DrugBank:DB06777 LINCS:LSM-5353 Reaxys:3219887 |
|
| definition |
A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. |
|
| formula |
C24H40O4 |
|
| has role | ||
| has_alternative_id |
CHEBI:23094 CHEBI:3588 CHEBI:3593 |
|
| has_exact_synonym |
3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid Chenodeoxycholic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
anthropodesoxycholic acid 7alpha-hydroxylithocholic acid 3alpha,7alpha-Dihydroxy-5beta-cholanic acid chenic acid gallodesoxycholic acid anthropodeoxycholic acid CDCA Chenix Chenodiol |
|
| id |
CHEBI:16755 |
|
| in_subset | ||
| 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 |
|
| is conjugate acid of | ||
| label |
chenodeoxycholic acid |
|
| mass |
392.57200 |
|
| monoisotopicmass |
392.29266 |
|
| notation |
CHEBI:16755 |
|
| prefLabel |
chenodeoxycholic acid |
|
| 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@]1([H])[C@H](O)C2)[C@H](C)CCC(O)=O |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_131620 |