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ChEBI
> Main
CHEBI:82982 - glycodeoxycholate
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ChEBI Name
glycodeoxycholate
ChEBI ID
CHEBI:82982
Definition
A
N
-acylglycinate that is the conjugate base of glycodeoxycholic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C26H42NO5
Net Charge
-1
Average Mass
448.616
Monoisotopic Mass
448.30685
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)
/p-
1/t15-
,16-
,17-
,18+,19-
,20+,21+,22+,25+,26-
/m1/s1
InChIKey
WVULKSPCQVQLCU-BUXLTGKBSA-M
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
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
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
glycodeoxycholate (
CHEBI:82982
)
has role
human metabolite (
CHEBI:77746
)
glycodeoxycholate (
CHEBI:82982
)
is a
N
-acylglycinate (
CHEBI:57670
)
glycodeoxycholate (
CHEBI:82982
)
is conjugate base of
glycodeoxycholic acid (
CHEBI:27471
)
Incoming
sodium glycodeoxycholate (
CHEBI:87819
)
has part
glycodeoxycholate (
CHEBI:82982
)
glycodeoxycholic acid (
CHEBI:27471
)
is conjugate acid of
glycodeoxycholate (
CHEBI:82982
)
IUPAC Name
{[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino}acetate
Synonym
Source
glycodeoxycholate
UniProt
Last Modified
03 May 2016