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ChEBI
> Main
CHEBI:81242 - 12-Epideoxycholic acid
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ChEBI Ontology
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ChEBI Name
12-Epideoxycholic acid
ChEBI ID
CHEBI:81242
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C24H40O4
Net Charge
0
Average Mass
392.57200
Monoisotopic Mass
392.29266
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-MFSKYVBHSA-N
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
ChEBI Ontology
Outgoing
12-Epideoxycholic acid (
CHEBI:81242
)
is a
cholanoid (
CHEBI:36078
)
Synonym
Source
12-Epideoxycholate
KEGG COMPOUND
Manual Xrefs
Databases
C17646
KEGG COMPOUND
HMDB0000411
HMDB
View more database links