Home/Chemicals/107-73-3

Chemical substance record

Phosphocholine

107-73-3C₅H₁₅NO₄P184.152 g/mol

Organic/Inorganic Small MoleculeChEBI source record

The phosphate of choline; and the parent compound of the phosphocholine family. — ChEBI

Safety references

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Identity & molecular properties

Source-linked values

CAS number	107-73-3	ChEBI ↗
Molecular formula	C₅H₁₅NO₄P	ChEBI ↗
Molar mass	184.152 g/mol	ChEBI ↗
Monoisotopic mass	184.07332 Da	ChEBI ↗
Formal charge	1	ChEBI ↗
ChEBI identifier	CHEBI:18132	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	184.15 g/mol	PubChem ↗
Exact mass	184.07386996 Da	PubChem ↗
Computed XLogP	-1.5	PubChem ↗
Topological polar surface area (Å²)	66.8	PubChem ↗
H-bond donors	2	PubChem ↗
H-bond acceptors	4	PubChem ↗
Rotatable bonds	4	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

phosphocholine

IUPAC name

N,N,N-trimethyl-2-(phosphonooxy)ethanaminium

InChIKey

YHHSONZFOIEMCP-UHFFFAOYSA-O

SMILES

C[N+](C)(C)CCOP(=O)(O)O

InChI

InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1

Names & synonyms

N,N,N-trimethyl-2-(phosphonooxy)ethanaminium

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

phosphocholinesChEBI parent class · 36700 ↗

ester organophosphorus compound organic molecular entity

Roles recorded in ChEBI

allergenepitopehaptenmouse metabolitehuman metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.0054303 mol

Uses 184.152 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

O

Oxygen · 4 atoms

34.75%

C

Carbon · 5 atoms

32.61%

P

Phosphorus · 1 atom

16.82%

H

Hydrogen · 15 atoms

8.21%

N

Nitrogen · 1 atom

7.61%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Dominance of immunoglobulin G2c in the antiphosphorylcholine response of rats infected with Trichinella spiralis. ↗Infection and immunity · 1999 Sep · PMID 10456913

Trichinella antigens: a review. ↗Veterinary research · 1999 Nov-Dec · PMID 10596404

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:18132

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 1014 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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