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> Main
CHEBI:27471 - glycodeoxycholic acid
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ChEBI Name
glycodeoxycholic acid
ChEBI ID
CHEBI:27471
Definition
A bile acid glycine conjugate of deoxycholic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1686, CHEBI:5465, CHEBI:20208
Supplier Information
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Read full article at Wikipedia
Formula
C26H43NO5
Net Charge
0
Average Mass
449.624
Monoisotopic Mass
449.31412
InChI
InChI=1S/C26H43NO5/c1-
15(4-
9-
23(30)
27-
14-
24(31)
32)
19-
7-
8-
20-
18-
6-
5-
16-
12-
17(28)
10-
11-
25(16,2)
21(18)
13-
22(29)
26(19,20)
3/h15-
22,28-
29H,4-
14H2,1-
3H3,(H,27,30)
(H,31,32)
/t15-
,16-
,17-
,18+,19-
,20+,21+,22+,25+,26-
/m1/s1
InChIKey
WVULKSPCQVQLCU-BUXLTGKBSA-N
SMILES
C1[C@@]
2([C@]
3(C[C@@H]
([C@]
4([C@]
([C@@]
3(CC[C@@]
2(C[C@@H]
(C1)
O)
[H]
)
[H]
)
(CC[C@@]
4([C@@H]
(CCC(NCC(O)
=O)
=O)
C)
[H]
)
[H]
)
C)
O)
[H]
)
C
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
glycodeoxycholic acid (
CHEBI:27471
)
has functional parent
deoxycholic acid (
CHEBI:28834
)
glycodeoxycholic acid (
CHEBI:27471
)
has role
human metabolite (
CHEBI:77746
)
glycodeoxycholic acid (
CHEBI:27471
)
is a
bile acid glycine conjugate (
CHEBI:36255
)
glycodeoxycholic acid (
CHEBI:27471
)
is conjugate acid of
glycodeoxycholate (
CHEBI:82982
)
Incoming
7-oxoglycodeoxycholic acid (
CHEBI:138394
)
has functional parent
glycodeoxycholic acid (
CHEBI:27471
)
glycodeoxycholic acid 3-sulfate (
CHEBI:133678
)
has functional parent
glycodeoxycholic acid (
CHEBI:27471
)
glycodeoxycholic acid-2,2,4,4-d4 (
CHEBI:192784
)
is a
glycodeoxycholic acid (
CHEBI:27471
)
glycodeoxycholate (
CHEBI:82982
)
is conjugate base of
glycodeoxycholic acid (
CHEBI:27471
)
IUPAC Name
N
-(3α,12α-dihydroxy-5β-cholan-24-oyl)glycine
Synonyms
Sources
deoxycholic acid glycine conjugate
ChemIDplus
deoxycholylglycine
ChemIDplus
GDCA
ChEBI
Glycodeoxycholate
KEGG COMPOUND
glycodeoxycholic acid
ChemIDplus
glycodesoxycholic acid
ChemIDplus
Manual Xrefs
Databases
C05464
KEGG COMPOUND
Glycodeoxycholic_acid
Wikipedia
GLYCODEOXYCHOLIC_ACID
MetaCyc
HMDB0000631
HMDB
LMST05030006
LIPID MAPS
LSM-5760
LINCS
View more database links
Registry Numbers
Types
Sources
2954947
Beilstein Registry Number
Beilstein
2954947
Reaxys Registry Number
Reaxys
360-65-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22359652
PubMed citation
Europe PMC
23892997
PubMed citation
Europe PMC
659989
PubMed citation
Europe PMC
Last Modified
07 September 2017