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> Main
CHEBI:52030 - murideoxycholic acid
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ChEBI Name
murideoxycholic acid
ChEBI ID
CHEBI:52030
Definition
A 3α-hydroxy steroid that is cholan-24-oic acid substituted by hydroxy groups at positions 3 and 6.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C24H40O4
Net Charge
0
Average Mass
392.57200
Monoisotopic Mass
392.29266
InChI
InChI=1S/C24H40O4/c1-
14(4-
7-
22(27)
28)
17-
5-
6-
18-
16-
13-
21(26)
20-
12-
15(25)
8-
10-
24(20,3)
19(16)
9-
11-
23(17,18)
2/h14-
21,25-
26H,4-
13H2,1-
3H3,(H,27,28)
/t14-
,15-
,16+,17-
,18+,19+,20+,21-
,23-
,24-
/m1/s1
InChIKey
DGABKXLVXPYZII-PLYQRAMGSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
C[C@@H]
(O)
[C@]
4([H]
)
C[C@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
[C@H]
(C)
CCC(O)
=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
murideoxycholic acid (
CHEBI:52030
)
has functional parent
cholic acid (
CHEBI:16359
)
murideoxycholic acid (
CHEBI:52030
)
has role
human metabolite (
CHEBI:77746
)
murideoxycholic acid (
CHEBI:52030
)
has role
mouse metabolite (
CHEBI:75771
)
murideoxycholic acid (
CHEBI:52030
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
murideoxycholic acid (
CHEBI:52030
)
is a
6β-hydroxy steroid (
CHEBI:36851
)
murideoxycholic acid (
CHEBI:52030
)
is conjugate acid of
murideoxycholate (
CHEBI:58876
)
Incoming
murideoxycholate (
CHEBI:58876
)
is conjugate base of
murideoxycholic acid (
CHEBI:52030
)
IUPAC Name
3α,6β-dihydroxycholan-24-oic acid
Synonyms
Sources
3alpha,6beta-Dihydroxy-5beta-cholanic acid
SUBMITTER
3alpha,6beta-Dihydroxy-5beta-cholanic acid
KEGG COMPOUND
6beta-Hydroxylithocholate
SUBMITTER
6beta-Hydroxylithocholate
KEGG COMPOUND
6β-hydroxylithocholic acid
SUBMITTER
Murideoxycholate
KEGG COMPOUND
Murocholic acid
HMDB
Manual Xrefs
Databases
C15515
KEGG COMPOUND
HMDB0000811
HMDB
LMST04010025
LIPID MAPS
View more database links
Citations
Types
Sources
24399466
PubMed citation
Europe PMC
8315264
PubMed citation
Europe PMC
Last Modified
11 November 2014