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> Main
CHEBI:134116 - α-muricholate
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ChEBI Name
α-muricholate
ChEBI ID
CHEBI:134116
ChEBI ASCII Name
alpha-muricholate
Definition
A bile acid anion resulting from the deprotonation of the carboxy group of α-muricholic acid. The major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
AnneNiknejad
Supplier Information
Download
Molfile
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Molfile
Formula
C24H39O5
Net Charge
-1
Average Mass
407.564
Monoisotopic Mass
407.28030
InChI
InChI=1S/C24H40O5/c1-
13(4-
7-
19(26)
27)
15-
5-
6-
16-
20-
17(9-
11-
23(15,16)
2)
24(3)
10-
8-
14(25)
12-
18(24)
21(28)
22(20)
29/h13-
18,20-
22,25,28-
29H,4-
12H2,1-
3H3,(H,26,27)
/p-
1/t13-
,14-
,15-
,16+,17+,18+,20+,21+,22+,23-
,24-
/m1/s1
InChIKey
DKPMWHFRUGMUKF-GDYCBZMLSA-M
SMILES
C1[C@H]
(C[C@@]
2([C@]
(C1)
([C@@]
3([C@@]
([C@@H]
([C@H]
2O)
O)
([C@@]
4([H]
)
[C@@]
(CC3)
(C)
[C@]
(CC4)
([C@@H]
(CCC([O-
]
)
=O)
C)
[H]
)
[H]
)
[H]
)
C)
[H]
)
O
ChEBI Ontology
Outgoing
α-muricholate (
CHEBI:134116
)
is a
bile acid anion (
CHEBI:36235
)
α-muricholate (
CHEBI:134116
)
is conjugate base of
α-muricholic acid (
CHEBI:81243
)
Incoming
α-muricholate 7-sulfate(2−) (
CHEBI:172398
)
has functional parent
α-muricholate (
CHEBI:134116
)
α-muricholic acid (
CHEBI:81243
)
is conjugate acid of
α-muricholate (
CHEBI:134116
)
IUPAC Name
3α,6β,7α-trihydroxy-5β-cholan-24-oate
Synonyms
Sources
(3α,5β,6β,7α)-3,6,7-trihydroxycholan-24-oate
IUPAC
α-muricholate
UniProt
Manual Xref
Database
C17647
KEGG COMPOUND
View more database links
Citation
Type
Source
20671298
PubMed citation
SUBMITTER
Last Modified
01 February 2017