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Basic information
- CAS
3616-04-4- Standard SMILES
C[N+](C)(C)CCOP(=O)(O)O- InChIKey
YHHSONZFOIEMCP-UHFFFAOYSA-O- Molecular formula
- C5H15NO4P+
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.07386996
Names & identifiers
- Preferred name
- N,N,N-trimethyl-2-(phosphonooxy)ethanaminium
- IUPAC
- trimethyl(2-phosphonooxyethyl)azanium
- English name
- Phosphorylcholine
- Molecular formula
- C5H15NO4P+
- Molecular weight
- 184.15
Names & synonyms
Phosphocholine cationN,N,N-trimethyl-2-(phosphonooxy)ethanaminiumEthanaminium, N,N,N-trimethyl-2-(phosphonooxy)-Choline, dihydrogen phosphate (ester) (8CI)(2-(trimethylazaniumyl)ethoxy)phosphonic acid[2-(trimethylazaniumyl)ethoxy]phosphonic acidRefChem:822086Choline, dihydrogen phosphate (ester)phosphocholine3616-04-4O-Phosphocholinetrimethyl(2-phosphonooxyethyl)azanium
Show more names
Phosphorylcholine (Phosphocholine)
phosphoryl-cholineN,N,N-Trimethyl-2-(phosphonooxy)ethan-1-aminiumCHEBI:18132N-Trimethyl-2-aminoethylphosphonateEpitope ID:115009SCHEMBL8012C5H15NO4P+orb1983599
Database identifiers
- CAS
3616-04-4- PubChem CID
- 1014
- DTXSID
DTXSID30861727- ChEMBL
CHEMBL1235161- ChEBI
CHEBI:18132- Nikkaji
- J40.088B
Properties
Computed structural propertiesFilling in
- XLogP
- -1.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 158
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section
138.54 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
136.7 Ų [M+H]+；148 Ų [M+Na]+；137.7 Ų [M+H]+
Physicochemical properties
- storage temp.
- 4 °C · Store at 4°C
- solubility
- 100 mg/mL · Water: 100 mg/mL (546.03 mM); Ethanol: 4 mg/mL (21.84 mM); DMSO: < 1 mg/mL (insoluble or slightly soluble)
- form
- Oil
- color
- Colorless to light yellow
Chemistry & industry
Pharmacology
Tissue LocationsBrain；Epidermis；Fibroblasts；Intestine；Kidney；Liver；Placenta；Platelet
Cellular LocationsCytoplasm
Metabolite Pathways
Fabry disease；Gaucher Disease；Globoid Cell Leukodystrophy；Krabbe disease；Lamivudine Metabolism Pathway；Metachromatic Leukodystrophy (MLD)；Phosphatidylcholine Biosynthesis；Phosphatidylcholine Biosynthesis PC(11D3/11D3)；Phosphatidylcholine Biosynthesis PC(11D3/11D5)；Phosphatidylcholine Biosynthesis PC(11D3/11M3)；Total 931 pathways, visit the HMDB page for details
Applications
UsesPhosphatidylcholine is the main phospholipid component in eukaryotic biofilms. Phosphatidylcholine exists in commensal or pathogenic bacteria associated with eukaryotes in prokaryotes. Phosphorylcholine exhibits a surprising range of immunomodulatory properties[1].
Suppliers16 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
2 records
Compound notes
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