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> Main
CHEBI:17639 - 3-oxo-5β-cholanic acid
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ChEBI Name
3-oxo-5β-cholanic acid
ChEBI ID
CHEBI:17639
ChEBI ASCII Name
3-oxo-5beta-cholanic acid
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1623, CHEBI:20151, CHEBI:20152
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Formula
C24H38O3
Net Charge
0
Average Mass
374.55672
Monoisotopic Mass
374.28210
InChI
InChI=1S/C24H38O3/c1-
15(4-
9-
22(26)
27)
19-
7-
8-
20-
18-
6-
5-
16-
14-
17(25)
10-
12-
23(16,2)
21(18)
11-
13-
24(19,20)
3/h15-
16,18-
21H,4-
14H2,1-
3H3,(H,26,27)
/t15-
,16-
,18+,19-
,20+,21+,23+,24-
/m1/s1
InChIKey
KIQFUORWRVZTHT-OPTMKGCMSA-N
SMILES
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(O)=O)[C@@]1(C)CCC(=O)C2
ChEBI Ontology
Outgoing
3-oxo-5β-cholanic acid (
CHEBI:17639
)
is a
oxo-5β-cholanic acid (
CHEBI:25753
)
3-oxo-5β-cholanic acid (
CHEBI:17639
)
is conjugate acid of
3-oxo-5β-cholanate (
CHEBI:11867
)
Incoming
3-oxocholan-24-oyl-CoA (
CHEBI:137539
)
has functional parent
3-oxo-5β-cholanic acid (
CHEBI:17639
)
3-oxo-5β-cholanate (
CHEBI:11867
)
is conjugate base of
3-oxo-5β-cholanic acid (
CHEBI:17639
)
IUPAC Name
3-oxo-5β-cholan-24-oic acid
Synonyms
Sources
3-ketolithocholic acid
ChemIDplus
3-Oxo-5beta-cholanate
KEGG COMPOUND
3-oxocholan-24-oic acid
ChemIDplus
Manual Xrefs
Databases
C03070
KEGG COMPOUND
LMST04010127
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1553-56-6
CAS Registry Number
ChemIDplus
3218542
Beilstein Registry Number
Beilstein
Last Modified
26 June 2017