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ChEBI
> Main
CHEBI:23614 - deoxycholate
Main
ChEBI Ontology
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ChEBI Name
deoxycholate
ChEBI ID
CHEBI:23614
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H39O4
Net Charge
-1
Average Mass
391.56406
Monoisotopic Mass
391.28538
InChI
InChI=1S/C24H40O4/c1-
14(4-
9-
22(27)
28)
18-
7-
8-
19-
17-
6-
5-
15-
12-
16(25)
10-
11-
23(15,2)
20(17)
13-
21(26)
24(18,19)
3/h14-
21,25-
26H,4-
13H2,1-
3H3,(H,27,28)
/p-
1/t14-
,15-
,16-
,17+,18-
,19+,20+,21+,23+,24-
/m1/s1
InChIKey
KXGVEGMKQFWNSR-LLQZFEROSA-M
SMILES
[H]
[C@]
12CC[C@@]
3([H]
)
[C@]
4([H]
)
CC[C@]
([H]
)
([C@H]
(C)
CCC([O-
]
)
=O)
[C@@]
4(C)
[C@@H]
(O)
C[C@]
3([H]
)
[C@@]
1(C)
CC[C@@H]
(O)
C2
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
deoxycholate (
CHEBI:23614
)
has role
human metabolite (
CHEBI:77746
)
deoxycholate (
CHEBI:23614
)
is a
bile acid anion (
CHEBI:36235
)
deoxycholate (
CHEBI:23614
)
is a
cholanic acid anion (
CHEBI:131878
)
deoxycholate (
CHEBI:23614
)
is conjugate base of
deoxycholic acid (
CHEBI:28834
)
Incoming
sodium deoxycholate (
CHEBI:9177
)
has part
deoxycholate (
CHEBI:23614
)
deoxycholic acid (
CHEBI:28834
)
is conjugate acid of
deoxycholate (
CHEBI:23614
)
IUPAC Name
3α,12α-dihydroxy-5β-cholan-24-oate
Synonyms
Sources
3α,12α-dihydroxy-5β-cholanate
ChEBI
deoxycholate
UniProt
Desoxycholat
ChEBI
Registry Numbers
Types
Sources
1774558
Gmelin Registry Number
Gmelin
3629953
Beilstein Registry Number
Beilstein
Last Modified
04 April 2017