2-Aminoethyl (R)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate (CED0189140)

Record Information
Version1.0
Creation Date2026-04-04 07:29:03 UTC
Update Date2026-08-22 12:06:38 UTC
Accession NumberCHEM072686
Identification
Common Name2-Aminoethyl (R)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate
ClassSmall Molecule
Description
2-Aminoethyl (R)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate belongs to the glycerophosphoethanolamines, a subclass of glycerophospholipids within the organic compounds. With an average molecular weight of 664.01 g/mol, 2-Aminoethyl (R)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate is a heavy molecule. This compound has the chemical formula C37H78N1O6P1. It has been found in or released from one recorded source: household cleaning and consumer products, specifically pipe accessories.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC37H78N1O6P1
Average Molecular Mass664.006 g/mol
Monoisotopic Mass663.557 g/mol
CAS Registry Number61423-61-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OCCN)OCCCCCCCCCCCCCCCC
InChI IdentifierInChI=1S/C37H78NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-41-35-37(36-44-45(39,40)43-34-31-38)42-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3,(H,39,40)/t37-/m1/s1
InChI KeyUXDBPOWEWOXJCE-DIPNUNPCSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5422.0Log mg/kg[3000:9600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)1.16774
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)3.19182
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)3.50322
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)3.19182
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)1.94623
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)2.64687
Click to view 3D structureProbable G-protein coupled receptor 34Q9R1K6Mus musculusPredicted (SEA)1.63483
Probable G-protein coupled receptor 174 structureClick to view 3D structureProbable G-protein coupled receptor 174Q9BXC1HumansPredicted (SEA)2.02408
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)1.32344
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)2.10193
Click to view 3D structurePutative P2Y purinoceptor 10Q8BFU7Mus musculusPredicted (SEA)1.71268
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)9.03051
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)0.622794
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)536.148
Click to view 3D structureG protein-coupled receptor 34aQ6XCC7Danio rerioPredicted (SEA)2.02408
Click to view 3D structureG protein-coupled receptor 34bB0S6P9Danio rerioPredicted (SEA)2.02408
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)1.71268
Click to view 3D structureProbable G-protein coupled receptor 174Q3U507Mus musculusPredicted (SEA)2.56902
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)8.17417
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)4.67095
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)4.20386
Sphingosine 1-phosphate receptor 1 structureClick to view 3D structureSphingosine 1-phosphate receptor 1P21453HumansPredicted (SEA)109.612
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)5.91654
Click to view 3D structureUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligaseQ5HMD9Staphylococcus epidermidis (strain ATCC 35984 / RP62A)Predicted (SEA)6.15009
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)61.6566
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available