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:29747 - cholate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
cholate
ChEBI ID
CHEBI:29747
Definition
A bile acid anion that is the conjugate base of cholic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:13978, CHEBI:11895, CHEBI:20216, CHEBI:23168, CHEBI:57748
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
C24H39O5
Net Charge
-1
Average Mass
407.56346
Monoisotopic Mass
407.28030
InChI
InChI=1S/C24H40O5/c1-
13(4-
7-
21(28)
29)
16-
5-
6-
17-
22-
18(12-
20(27)
24(16,17)
3)
23(2)
9-
8-
15(25)
10-
14(23)
11-
19(22)
26/h13-
20,22,25-
27H,4-
12H2,1-
3H3,(H,28,29)
/p-
1/t13-
,14+,15-
,16-
,17+,18+,19-
,20+,22+,23+,24-
/m1/s1
InChIKey
BHQCQFFYRZLCQQ-OELDTZBJSA-M
SMILES
[H]
[C@@]
12C[C@H]
(O)
CC[C@]
1(C)
[C@@]
1([H]
)
C[C@H]
(O)
[C@]
3(C)
[C@]
([H]
)
(CC[C@@]
3([H]
)
[C@]
1([H]
)
[C@H]
(O)
C2)
[C@H]
(C)
CCC([O-
]
)
=O
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
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cholate (
CHEBI:29747
)
has role
human metabolite (
CHEBI:77746
)
cholate (
CHEBI:29747
)
has role
mouse metabolite (
CHEBI:75771
)
cholate (
CHEBI:29747
)
is a
bile acid anion (
CHEBI:36235
)
cholate (
CHEBI:29747
)
is a
cholanic acid anion (
CHEBI:131878
)
cholate (
CHEBI:29747
)
is conjugate base of
cholic acid (
CHEBI:16359
)
Incoming
cholate salt (
CHEBI:23169
)
has part
cholate (
CHEBI:29747
)
cholic acid (
CHEBI:16359
)
is conjugate acid of
cholate (
CHEBI:29747
)
IUPAC Name
3α,7α,12α-trihydroxy-5β-cholan-24-oate
Synonyms
Sources
3α,7α,12α-trihydroxy-5β-cholanate
ChEBI
cholate
UniProt
Registry Numbers
Types
Sources
3915750
Reaxys Registry Number
Reaxys
3915750
Beilstein Registry Number
Beilstein
Last Modified
01 September 2014