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Lysophosphatidylcholine

Athanor · official

C24H50NO7P · 495.6 g/mol

IUPAC name: [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Also called LPC, lysolecithin, monoacyl phosphatidylcholine

Lipids
Open in Athanor
The structure of Lysophosphatidylcholine
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Synonyms
LPC, lysolecithin, monoacyl phosphatidylcholine
+ 38 more

1-Palmitoyl-sn-glycero-3-phosphocholine, [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, JD6PYE3XUX, DTXSID30914020, ((2R)-3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate, RefChem:1056179, DTXCID901343016, 1-hexadecanoyl-sn-glycero-3-phosphocholine, LPC(16:0/0:0), LysoPC(16:0), MFCD00036904, 16:0 LYSO-PC, CHEBI:72998, Lysophosphatidylcholine(16:0/0:0), PC(16:0/0:0), 1-16:0-lysoPC, 16:0 Lyso PC, (R)-2-Hydroxy-3-(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, 1-palmitoyl-phosphatidylcholine, LyPC(16:0), LysoPC(16:0/0:0), 1-Hexadecanoyl-sn-glycerol-3-phosphorylcholine, LyPC(16:0/0:0), 1-palmitoyl-sn-glycero-3-phos-phocholine, L-|A-lysophosphatidylcholine (Egg, Chicken), LPC(16:0), (2-{[(2R)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphonato]oxy}ethyl)trimethylazanium, 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-, Soy Lyso PC, C24H50NO7P, LPC 16:0, GPCho 16:0/0:0, Egg Lyso PC, GPCho(16:0/0:0), (R)-2-Hydroxy-3-(palmitoyloxy)propyl [2-(Trimethylammonio)ethyl] Phosphate, 1-palmitoyl-GPC, 1-palmitoyl-2-lysophosphatidylcholine, L-alpha-Lysophosphatidylcholine (Soy)

Molecular formula
C24H50NO7P
Empirical formula
C24H50NO7P
Molecular weight
495.6 g/mol
Exact mass
495.33249
CAS number
17364-16-8
PubChem CID
460602
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
Isomeric SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
InChIKey
ASWBNKHCZGQVJV-HSZRJFAPSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
33
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.96
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
23 computed here · PubChem 24
TPSA (Ų)
105.1 computed here · PubChem 105
Formal charge
0
XLogP3
5.6 PubChem
Complexity
517 PubChem
Stereocenters
1 defined, 1 undefinedCIP: C20: R · P24: undefined
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C58.16%
  • H10.17%
  • N2.83%
  • O22.60%
  • P6.25%

Isotope pattern

100%495.33227%496.3365.0%497.339498.341

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P
4.58 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-4.28 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.74 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 495.64
  • log P ≤ 5 (Crippen): 4.58
  • H-bond donors ≤ 5: 1
  • H-bond acceptors ≤ 10: 7

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: CATO Research Chemicals Inc., Alfa Chemistry, LGC Standards.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. [1]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  2. [2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  5. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  6. ·Literature on PubChem

Data last updated 2026-10-14.