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ChEBI
> Main
CHEBI:60008 - glycolithocholate
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ChEBI Name
glycolithocholate
ChEBI ID
CHEBI:60008
Definition
A
N
-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C26H42NO4
Net Charge
-1
Average Mass
432.61600
Monoisotopic Mass
432.31193
InChI
InChI=1S/C26H43NO4/c1-
16(4-
9-
23(29)
27-
15-
24(30)
31)
20-
7-
8-
21-
19-
6-
5-
17-
14-
18(28)
10-
12-
25(17,2)
22(19)
11-
13-
26(20,21)
3/h16-
22,28H,4-
15H2,1-
3H3,(H,27,29)
(H,30,31)
/p-
1/t16-
,17-
,18-
,19+,20-
,21+,22+,25+,26-
/m1/s1
InChIKey
XBSQTYHEGZTYJE-OETIFKLTSA-M
SMILES
[H]
[C@]
12CC[C@@]
3([H]
)
[C@]
4([H]
)
CC[C@]
([H]
)
([C@H]
(C)
CCC(=O)
NCC([O-
]
)
=O)
[C@@]
4(C)
CC[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
glycolithocholate (
CHEBI:60008
)
has role
human metabolite (
CHEBI:77746
)
glycolithocholate (
CHEBI:60008
)
is a
N
-acylglycinate (
CHEBI:57670
)
glycolithocholate (
CHEBI:60008
)
is conjugate base of
glycolithocholic acid (
CHEBI:37998
)
Incoming
glycolithocholic acid (
CHEBI:37998
)
is conjugate acid of
glycolithocholate (
CHEBI:60008
)
IUPAC Name
N
-(3α-hydroxy-5β-cholan-24-oyl)glycinate
Synonym
Source
glycolithocholate
UniProt
Last Modified
18 September 2014