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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:133661 - hyocholate
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ChEBI Name
hyocholate
ChEBI ID
CHEBI:133661
Definition
A bile acid anion that is the conjugate base of hyocholic acid, obtained bye deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
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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-KWXDGCAGSA-M
SMILES
C1[C@@]
2([C@]
3(CC[C@]
4([C@]
([C@@]
3([C@@H]
([C@@H]
([C@@]
2(C[C@@H]
(C1)
O)
[H]
)
O)
O)
[H]
)
(CC[C@]
4([H]
)
[C@@H]
(CCC([O-
]
)
=O)
C)
[H]
)
C)
[H]
)
C
Roles Classification
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
hyocholate (
CHEBI:133661
)
has role
human urinary metabolite (
CHEBI:84087
)
hyocholate (
CHEBI:133661
)
has role
mouse metabolite (
CHEBI:75771
)
hyocholate (
CHEBI:133661
)
has role
rat metabolite (
CHEBI:86264
)
hyocholate (
CHEBI:133661
)
is a
bile acid anion (
CHEBI:36235
)
hyocholate (
CHEBI:133661
)
is conjugate base of
hyocholic acid (
CHEBI:81244
)
Incoming
hyocholic acid (
CHEBI:81244
)
is conjugate acid of
hyocholate (
CHEBI:133661
)
IUPAC Name
3α,6α,7α-trihydroxy-5β-cholan-24-oate
Synonyms
Sources
(3α,5β,6α,7α)-3,6,7-trihydroxycholan-24-oate
IUPAC
α-hyocholate
ChEBI
γ-muricholate
IUPAC
hyocholate
UniProt
hyocholic acid
ChEBI
Last Modified
28 April 2017