loading...| Preferred Name | deoxycholate | |
| Synonyms |
Desoxycholat 3alpha,12alpha-dihydroxy-5beta-cholanate 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate deoxycholate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_23614 |
|
| alternative label |
Desoxycholat 3alpha,12alpha-dihydroxy-5beta-cholanate 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate deoxycholate |
|
| charge |
-1 |
|
| database_cross_reference |
Gmelin:1774558 Beilstein:3629953 |
|
| formula |
C24H39O4 |
|
| has role | ||
| has_exact_synonym |
3alpha,12alpha-dihydroxy-5beta-cholan-24-oate deoxycholate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Desoxycholat 3alpha,12alpha-dihydroxy-5beta-cholanate |
|
| has_RxCUI |
42627 |
|
| id |
CHEBI:23614 |
|
| 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)/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
|
| inchikey |
KXGVEGMKQFWNSR-LLQZFEROSA-M |
|
| is conjugate base of | ||
| label |
deoxycholate |
|
| mass |
391.56406 |
|
| monoisotopicmass |
391.28538 |
|
| notation |
CHEBI:23614 |
|
| prefLabel |
deoxycholate |
|
| 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 |
|
| subClassOf |