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CHEBI:78605 - 7-oxolithocholate
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ChEBI Name
7-oxolithocholate
ChEBI ID
CHEBI:78605
Definition
A bile acid anion that is the conjugate base of 7-oxolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Lucila Aimo
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Formula
C24H37O4
Net Charge
-1
Average Mass
389.54870
Monoisotopic Mass
389.26973
InChI
InChI=1S/C24H38O4/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-
19,22,25H,4-
13H2,1-
3H3,(H,27,28)
/p-
1/t14-
,15+,16-
,17-
,18+,19+,22+,23+,24-
/m1/s1
InChIKey
DXOCDBGWDZAYRQ-AURDAFMXSA-M
SMILES
C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
ChEBI Ontology
Outgoing
7-oxolithocholate (
CHEBI:78605
)
is a
bile acid anion (
CHEBI:36235
)
7-oxolithocholate (
CHEBI:78605
)
is conjugate base of
7-oxolithocholic acid (
CHEBI:82679
)
Incoming
7-oxolithocholic acid (
CHEBI:82679
)
is conjugate acid of
7-oxolithocholate (
CHEBI:78605
)
IUPAC Name
(3α,5β)-3-hydroxy-7-oxocholan-24-oate
Synonyms
Sources
7-ketolithocholate
ChEBI
7-oxo-3α-hydroxy-5β-cholan-24-oate
SUBMITTER
7-oxolithocholate
UniProt
Last Modified
06 July 2017