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:68637 - dexamethasone phosphate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
dexamethasone phosphate
ChEBI ID
CHEBI:68637
Definition
A steroid phosphate that is the 21-
O
-phospho derivative of dexamethasone.
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
C22H30FO8P
Net Charge
0
Average Mass
472.44100
Monoisotopic Mass
472.16623
InChI
InChI=1S/C22H30FO8P/c1-
12-
8-
16-
15-
5-
4-
13-
9-
14(24)
6-
7-
19(13,2)
21(15,23)
17(25)
10-
20(16,3)
22(12,27)
18(26)
11-
31-
32(28,29)
30/h6-
7,9,12,15-
17,25,27H,4-
5,8,10-
11H2,1-
3H3,(H2,28,29,30)
/t12-
,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
VQODGRNSFPNSQE-CXSFZGCWSA-N
SMILES
[H]
[C@@]
12C[C@@H]
(C)
[C@]
(O)
(C(=O)
COP(O)
(O)
=O)
[C@@]
1(C)
C[C@H]
(O)
[C@@]
1(F)
[C@@]
2([H]
)
CCC2=CC(=O)
C=C[C@]
12C
Roles Classification
Biological Role
(s):
glucocorticoid receptor agonist
An agonist that selectively binds to and activates a glucocorticoid receptor.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dexamethasone phosphate (
CHEBI:68637
)
has functional parent
dexamethasone (
CHEBI:41879
)
dexamethasone phosphate (
CHEBI:68637
)
has role
glucocorticoid receptor agonist (
CHEBI:63562
)
dexamethasone phosphate (
CHEBI:68637
)
is a
11β-hydroxy steroid (
CHEBI:35346
)
dexamethasone phosphate (
CHEBI:68637
)
is a
17-hydroxy steroid (
CHEBI:36838
)
dexamethasone phosphate (
CHEBI:68637
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
dexamethasone phosphate (
CHEBI:68637
)
is a
fluorinated steroid (
CHEBI:50830
)
dexamethasone phosphate (
CHEBI:68637
)
is a
steroid phosphate (
CHEBI:36944
)
dexamethasone phosphate (
CHEBI:68637
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
dexamethasone phosphate (
CHEBI:68637
)
is conjugate acid of
dexamethasone phosphate(2−) (
CHEBI:68638
)
Incoming
dexamethasone phosphate(2−) (
CHEBI:68638
)
is conjugate base of
dexamethasone phosphate (
CHEBI:68637
)
IUPAC Name
(11β,16α)-
9-
fluoro-
11,17-
dihydroxy-
16-
methyl-
3,20-
dioxopregna-
1,4-
dien-
21-
yl dihydrogen phosphate
Synonyms
Sources
Betnelan phosphate
ChemIDplus
Dexamethasone 21-orthophosphate
ChemIDplus
Dexamethasone-21-dihydrogen-phosphate
ChemIDplus
Hexadrol phosphate
ChemIDplus
Neodecadron
ChemIDplus
Manual Xref
Database
3920
DrugCentral
View more database links
Registry Numbers
Types
Sources
2230371
Reaxys Registry Number
Reaxys
312-93-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19910302
PubMed citation
Europe PMC
20003498
PubMed citation
Europe PMC
20642832
PubMed citation
Europe PMC
21629568
PubMed citation
Europe PMC
22115712
PubMed citation
Europe PMC
Last Modified
07 February 2018