CHEBI:273574 - O-hydroxy(phenyl)phosphinoyl ecgonine methyl ester

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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 )
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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 (1R,2R,3S,5S)-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 Waiting for Citations Types Sources
16472740 PubMed citation Europe PMC
8575031 PubMed citation Europe PMC
Last Modified
20 December 2016