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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:134216 - muricholic acids
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ChEBI Ontology
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ChEBI Name
muricholic acids
ChEBI ID
CHEBI:134216
Definition
A group of trihydroxy-5β-cholanic acids that are the 6,7-diastereoisomers of 3α,6,7-trihydroxy-5β-cholan-24-oic acid.
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This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C24H40O5
Net Charge
0
Average Mass
408.572
Monoisotopic Mass
408.28757
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)
/t13-
,14-
,15-
,16+,17+,18+,20+,21?,22?,23-
,24-
/m1/s1
InChIKey
DKPMWHFRUGMUKF-JDDNAIEOSA-N
SMILES
C1[C@H]
(C[C@@]
2([C@]
(C1)
([C@@]
3([C@@]
(C(C2O)
O)
([C@@]
4([H]
)
[C@@]
(CC3)
(C)
[C@]
(CC4)
([C@@H]
(CCC(O)
=O)
C)
[H]
)
[H]
)
[H]
)
C)
[H]
)
O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
muricholic acids (
CHEBI:134216
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
muricholic acids (
CHEBI:134216
)
is a
6-hydroxy steroid (
CHEBI:36849
)
muricholic acids (
CHEBI:134216
)
is a
7-hydroxy steroid (
CHEBI:36844
)
muricholic acids (
CHEBI:134216
)
is a
bile acid (
CHEBI:3098
)
muricholic acids (
CHEBI:134216
)
is a
C
24
-steroid (
CHEBI:131620
)
muricholic acids (
CHEBI:134216
)
is a
trihydroxy-5β-cholanic acid (
CHEBI:27114
)
Incoming
α-muricholic acid (
CHEBI:81243
)
is a
muricholic acids (
CHEBI:134216
)
β-muricholic acid (
CHEBI:81298
)
is a
muricholic acids (
CHEBI:134216
)
ω-muricholic acid (
CHEBI:81299
)
is a
muricholic acids (
CHEBI:134216
)
hyocholic acid (
CHEBI:81244
)
is a
muricholic acids (
CHEBI:134216
)
Manual Xrefs
Databases
HMDB0000865
HMDB
Muricholic_acid
Wikipedia
View more database links
Last Modified
09 January 2017