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ChEBI
> Main
CHEBI:273574 -
O
-hydroxy(phenyl)phosphinoyl ecgonine methyl ester
Main
ChEBI Ontology
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ChEBI Name
O
-hydroxy(phenyl)phosphinoyl ecgonine methyl ester
ChEBI ID
CHEBI:273574
ChEBI ASCII Name
O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester
Definition
The
O
-hydroxy(phenyl)phosphinoyl derivative of ecgonine methyl ester.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:45902
Supplier Information
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Formula
C16H22NO5P
Net Charge
0
Average Mass
339.32330
Monoisotopic Mass
339.12356
InChI
InChI=1S/C16H22NO5P/c1-
17-
11-
8-
9-
13(17)
15(16(18)
21-
2)
14(10-
11)
22-
23(19,20)
12-
6-
4-
3-
5-
7-
12/h3-
7,11,13-
15H,8-
10H2,1-
2H3,(H,19,20)
/t11-
,13+,14-
,15+/m0/s1
InChIKey
WJTKWTJTOSZMKO-PMOUVXMZSA-N
SMILES
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OP(O)(=O)c1ccccc1)C(=O)OC)N2C
Roles Classification
Biological Role
(s):
epitope
The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
O
-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (
CHEBI:273574
)
has functional parent
ecgonine methyl ester (
CHEBI:31529
)
O
-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (
CHEBI:273574
)
has role
epitope (
CHEBI:53000
)
O
-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (
CHEBI:273574
)
is a
methyl ester (
CHEBI:25248
)
O
-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (
CHEBI:273574
)
is a
phosphonic ester (
CHEBI:37735
)
O
-hydroxy(phenyl)phosphinoyl ecgonine methyl ester (
CHEBI:273574
)
is a
tropane alkaloid (
CHEBI:37332
)
IUPAC Name
methyl (1
R
,2
R
,3
S
,5
S
)-
3-
{[hydroxy(phenyl)phosphoryl]oxy}-
8-
methyl-
8-
azabicyclo[3.2.1]octane-
2-
carboxylate
Manual Xrefs
Databases
2AJX
PDB
DB08618
DrugBank
TGN
PDBeChem
View more database links
Registry Numbers
Types
Sources
7443069
Beilstein Registry Number
Beilstein
7443069
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16472740
PubMed citation
Europe PMC
8575031
PubMed citation
Europe PMC
Last Modified
20 December 2016