Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:37998 - glycolithocholic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
glycolithocholic acid
ChEBI ID
CHEBI:37998
Definition
The glycine conjugate of lithocholic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C26H43NO4
Net Charge
0
Average Mass
433.62390
Monoisotopic Mass
433.31921
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)
/t16-
,17-
,18-
,19+,20-
,21+,22+,25+,26-
/m1/s1
InChIKey
XBSQTYHEGZTYJE-OETIFKLTSA-N
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
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glycolithocholic acid (
CHEBI:37998
)
has functional parent
lithocholic acid (
CHEBI:16325
)
glycolithocholic acid (
CHEBI:37998
)
is a
N
-acylglycine (
CHEBI:16180
)
glycolithocholic acid (
CHEBI:37998
)
is a
bile acid glycine conjugate (
CHEBI:36255
)
glycolithocholic acid (
CHEBI:37998
)
is conjugate acid of
glycolithocholate (
CHEBI:60008
)
Incoming
7-oxoglycolithocholic acid (
CHEBI:138391
)
has functional parent
glycolithocholic acid (
CHEBI:37998
)
sulfoglycolithocholic acid (
CHEBI:9347
)
has functional parent
glycolithocholic acid (
CHEBI:37998
)
glycolithocholate (
CHEBI:60008
)
is conjugate base of
glycolithocholic acid (
CHEBI:37998
)
IUPAC Name
N
-(3α-hydroxy-5β-cholan-24-oyl)glycine
Synonyms
Sources
Glycolithocholate
KEGG COMPOUND
Glycolithocholic acid
KEGG COMPOUND
Lithocholic acid glycine conjugate
ChemIDplus
Lithocholylglycine
ChemIDplus
N-((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)glycine
ChemIDplus
Manual Xref
Database
C15557
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
3174407
Beilstein Registry Number
Beilstein
474-74-8
CAS Registry Number
ChemIDplus
Last Modified
06 September 2017