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> Main
CHEBI:82679 - 7-oxolithocholic acid
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ChEBI Name
7-oxolithocholic acid
ChEBI ID
CHEBI:82679
Definition
A bile acid that is lithocholic acid carrying an additional oxo substituent at position 7.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C24H38O4
Net Charge
0
Average Mass
390.55610
Monoisotopic Mass
390.27701
InChI
InChI=1S/C24H38O4/c1-
14(4-
7-
21(27)
28)
17-
5-
6-
18-
22-
19(9-
11-
24(17,18)
3)
23(2)
10-
8-
16(25)
12-
15(23)
13-
20(22)
26/h14-
19,22,25H,4-
13H2,1-
3H3,(H,27,28)
/t14-
,15+,16-
,17-
,18+,19+,22+,23+,24-
/m1/s1
InChIKey
DXOCDBGWDZAYRQ-AURDAFMXSA-N
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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
7-oxolithocholic acid (
CHEBI:82679
)
has functional parent
lithocholic acid (
CHEBI:16325
)
7-oxolithocholic acid (
CHEBI:82679
)
has role
human metabolite (
CHEBI:77746
)
7-oxolithocholic acid (
CHEBI:82679
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
7-oxolithocholic acid (
CHEBI:82679
)
is a
bile acid (
CHEBI:3098
)
7-oxolithocholic acid (
CHEBI:82679
)
is a
monohydroxy-5β-cholanic acid (
CHEBI:36260
)
7-oxolithocholic acid (
CHEBI:82679
)
is a
oxo-5β-cholanic acid (
CHEBI:25753
)
7-oxolithocholic acid (
CHEBI:82679
)
is conjugate acid of
7-oxolithocholate (
CHEBI:78605
)
Incoming
7-oxotaurolithocholic acid (
CHEBI:138384
)
has functional parent
7-oxolithocholic acid (
CHEBI:82679
)
7-oxolithocholate (
CHEBI:78605
)
is conjugate base of
7-oxolithocholic acid (
CHEBI:82679
)
IUPAC Name
(3α,5β)-3-hydroxy-7-oxocholan-24-oic acid
Synonyms
Sources
3-alpha-Hydroxy-7-oxo-5-beta-cholan-24-oic acid
ChemIDplus
3α-hydroxy-7-oxo-5β-cholan-24-oic acid
ChEBI
3alpha-Hydroxy-7-oxo-5beta-cholanic acid
ChemIDplus
7-Ketolithocholic acid
ChemIDplus
7-oxo-3α-hydroxycholan-24-oic acid
HMDB
7-oxolithocholic acid
ChEBI
Nutriacholic acid
HMDB
Manual Xrefs
Databases
HMDB0000467
HMDB
LMST04010150
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
3222783
Reaxys Registry Number
Reaxys
4651-67-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
13525374
PubMed citation
Europe PMC
21453287
PubMed citation
Europe PMC
23933573
PubMed citation
Europe PMC
2401860
PubMed citation
Europe PMC
2811609
PubMed citation
Europe PMC
2912152
PubMed citation
Europe PMC
3480039
PubMed citation
Europe PMC
3943698
PubMed citation
Europe PMC
3943699
PubMed citation
Europe PMC
4016150
PubMed citation
Europe PMC
4063074
PubMed citation
Europe PMC
4090568
PubMed citation
Europe PMC
520764
PubMed citation
Europe PMC
6631218
PubMed citation
Europe PMC
7084613
PubMed citation
Europe PMC
7380227
PubMed citation
Europe PMC
7435569
PubMed citation
Europe PMC
Last Modified
06 September 2017