1-[ethyl(methoxy)phosphoryl]oxyethane (CED0309910)

Record Information
Version1.0
Creation Date2026-09-01 07:55:46 UTC
Update Date2026-09-01 07:55:46 UTC
SynCED IDCED0309910
Secondary Accession Numbers
  • CHEM355602
Identification
Common Name1-[ethyl(methoxy)phosphoryl]oxyethane
ClassSmall Molecule
Description
1-[ethyl(methoxy)phosphoryl]oxyethane is a chemical compound with the formula C5H13O3P. It has an average molecular weight of 152.13 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC5H13O3P
Average Molecular MassNot Available
Monoisotopic Mass152.060 g/mol
CAS Registry Number5301-65-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOP(=O)(CC)OC
InChI IdentifierInChI=1S/C5H13O3P/c1-4-8-9(6,5-2)7-3/h4-5H2,1-3H3
InChI KeyGYWPLJQMSDXQDK-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
193.0 Log mg/kg [100:340]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentNot Available
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.37
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.281
Applicability Domain
0.345
Statistical Significance
5.00e-05
Supporting Reference Compounds
2
E-value
0.389246
Diacylglycerol acyltransferase/mycolyltransferase Ag85C structureClick to view 3D structureDiacylglycerol acyltransferase/mycolyltransferase Ag85CP9WQN9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
5.50e-04
Supporting Reference Compounds
1
E-value
4.28171
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0291
Supporting Reference Compounds
46
E-value
226.308
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.279 Low confidence
Statistical Significance
0.0107
Supporting Reference Compounds
42
E-value
82.9873
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)
Prediction Confidence Score
0.238
Applicability Domain
0.279 Low confidence
Statistical Significance
0.018
Supporting Reference Compounds
34
E-value
140.051
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.263 Low confidence
Statistical Significance
0.1634
Supporting Reference Compounds
58
E-value
1272.29
Fructose-bisphosphate aldolase A structureClick to view 3D structureFructose-bisphosphate aldolase AP00883Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.202
Applicability Domain
0.216 Low confidence
Statistical Significance
2.30e-04
Supporting Reference Compounds
2
E-value
1.79053
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.263 Low confidence
Statistical Significance
0.5685
Supporting Reference Compounds
407
E-value
4425.49
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.263 Low confidence
Statistical Significance
0.6546
Supporting Reference Compounds
472
E-value
5096.17
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.216 Low confidence
Statistical Significance
0.0568
Supporting Reference Compounds
21
E-value
442.573
Fructose-bisphosphate aldolase class 2 structureClick to view 3D structureFructose-bisphosphate aldolase class 2P0AB71Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.188 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.378
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.216 Low confidence
Statistical Significance
0.1043
Supporting Reference Compounds
30
E-value
812.357
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.186
Applicability Domain
0.216 Low confidence
Statistical Significance
0.1684
Supporting Reference Compounds
31
E-value
1310.75
Fructose-bisphosphate aldolase, glycosomal structureClick to view 3D structureFructose-bisphosphate aldolase, glycosomalP07752Trypanosoma brucei bruceiPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.216 Low confidence
Statistical Significance
2.80e-04
Supporting Reference Compounds
2
E-value
2.17978
Triosephosphate isomerase structureClick to view 3D structureTriosephosphate isomeraseP00939Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.185
Applicability Domain
0.188 Low confidence
Statistical Significance
3.60e-04
Supporting Reference Compounds
2
E-value
2.80257
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseQ9URB4Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.188 Low confidence
Statistical Significance
7.40e-04
Supporting Reference Compounds
3
E-value
5.76084
Fructose-bisphosphate aldolase structureClick to view 3D structureFructose-bisphosphate aldolaseP56109Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.184 Low confidence
Statistical Significance
4.80e-04
Supporting Reference Compounds
2
E-value
3.73676
Click to view 3D structureFructose-bisphosphate aldolase class IIA0A380PJR2Yersinia pestisPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.179 Low confidence
Statistical Significance
5.70e-04
Supporting Reference Compounds
1
E-value
4.43741
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0048
Supporting Reference Compounds
3
E-value
37.679
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
0.0162
Supporting Reference Compounds
14
E-value
126.194
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.176 Low confidence
Statistical Significance
0.1025
Supporting Reference Compounds
22
E-value
798.266
1-deoxy-D-xylulose-5-phosphate synthase structureClick to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseP9WNS3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.242 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
2
E-value
10.9767
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.176 Low confidence
Statistical Significance
0.0357
Supporting Reference Compounds
15
E-value
278.0
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.175
Applicability Domain
0.219 Low confidence
Statistical Significance
0.7879
Supporting Reference Compounds
372
E-value
6134.05
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available