loading...| Preferred Name | cholic acid | |
| Synonyms |
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid Cholsaeure 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid Cholic acid CHOLIC ACID |
|
| Definitions |
A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16359 |
|
| alternative term |
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid Cholsaeure 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid Cholic acid CHOLIC ACID |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
Drug_Central:3096 Reaxys:2822009 PDBeChem:CHD HMDB:HMDB0000619 LINCS:LSM-5541 DrugBank:DB02659 MetaCyc:CHOLATE Beilstein:2822009 PMID:22770225 LIPID_MAPS_instance:LMST04010001 Wikipedia:Cholic_Acid KEGG:C00695 CAS:81-25-4 |
|
| definition |
A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. |
|
| formula |
C24H40O5 |
|
| has_alternative_id |
CHEBI:20223 CHEBI:23210 CHEBI:41494 CHEBI:1694 |
|
| has_exact_synonym |
3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid Cholic acid CHOLIC ACID |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid Cholsaeure |
|
| id |
CHEBI:16359 |
|
| in_subset | ||
| inchi |
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
|
| inchikey |
BHQCQFFYRZLCQQ-OELDTZBJSA-N |
|
| is_conjugate_acid_of | ||
| label |
cholic acid |
|
| mass |
408.57140 |
|
| monoisotopicmass |
408.28757 |
|
| notation |
CHEBI:16359 |
|
| prefLabel |
cholic acid |
|
| RO_0000087 | ||
| smiles |
[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[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_27114 http://purl.obolibrary.org/obo/CHEBI_36846 http://purl.obolibrary.org/obo/CHEBI_36843 http://purl.obolibrary.org/obo/CHEBI_131620 |