loading...| Preferred Name |
chenodeoxycholate |
|
| Synonyms |
3alpha,7alpha-dihydroxy-5beta-cholan-24-oate chenodeoxycholate chenodeoxycholate(1-) chenodeoxycholate anion |
|
| Definitions |
Conjugate base of chenodeoxycholic acid; major species at pH 7.3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_36234 |
|
| charge |
-1 |
|
| database_cross_reference |
Beilstein:3703074 |
|
| definition |
Conjugate base of chenodeoxycholic acid; major species at pH 7.3. |
|
| formula |
C24H39O4 |
|
| has role | ||
| has_alternative_id |
CHEBI:57884 CHEBI:23093 CHEBI:13960 |
|
| has_exact_synonym |
3alpha,7alpha-dihydroxy-5beta-cholan-24-oate chenodeoxycholate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
chenodeoxycholate(1-) chenodeoxycholate anion |
|
| id |
CHEBI:36234 |
|
| 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)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
|
| inchikey |
RUDATBOHQWOJDD-BSWAIDMHSA-M |
|
| is conjugate base of | ||
| label |
chenodeoxycholate |
|
| mass |
391.56406 |
|
| monoisotopicmass |
391.28538 |
|
| notation |
CHEBI:36234 |
|
| prefLabel |
chenodeoxycholate |
|
| 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 |
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| treeView | ||
| subClassOf |