ChemFOnt: Showing chemical card for Lysolecithin (CFc000333826)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:14:18 UTC

Chemfont ID

CFc000333826

Molecule Identification

Common Name

Lysolecithin

Definition

978

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine	ChEBI
1-Oleoyl-2-hydroxy-sn-glycero-3-phosphocholine	ChEBI
1-Oleoyl-sn-glycero-3-phosphorylcholine	ChEBI
1-Oleoylglycerophosphocholine	ChEBI
3-Oleoyl-rac-glycerol-1-phosphorylcholine	ChEBI
a 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphocholine	ChEBI
LPC 18:1	ChEBI
LPC 18:1(9Z)/0:0	ChEBI
LPC(18:1(9Z)/0:0)	ChEBI
LysoPC 18:1(9Z)/0:0	ChEBI
Lysophosphatidylcholine 18:1	ChEBI
Lysophosphatidylcholine(18:1(9Z)/0:0)	ChEBI
PC 18:1(9Z)/0:0	ChEBI
PC(18:1(9Z)/0:0)	ChEBI
1-Oleoyl-glycero-3-phosphocholine	HMDB
LysoPC(18:1/0:0)	HMDB
LysoPC(18:1(9Z))	HMDB
Lysophosphatidylcholine(18:1)	HMDB
LysoPC(18:1)	HMDB
LyPC(18:1/0:0)	HMDB
LyPC(18:1)	HMDB
LPC(18:1/0:0)	HMDB
LPC(18:1)	HMDB
1-(9Z-Octadecenoyl)-glycero-3-phosphocholine	HMDB
Lysophosphatidylcholine(18:1/0:0)	HMDB
1-(9Z)-Octadecenoyl-sn-glycero-3-phosphocholine	HMDB
1-Oleoyl-sn-glycero-3-phosphocholine	HMDB
Choline phosphate (ester) 3-ester with 1-monoolein	HMDB
Choline phosphate 3-ester with 1-monoolein	HMDB
Gpcho(18:1(9Z)/0:0)[rac]	HMDB
LPC(18:1n9/0:0)	HMDB
LPC(18:1W9/0:0)	HMDB
LyPC(18:1W9/0:0)	HMDB
LysoPC a C18:1	HMDB
LysoPC(18:1n9/0:0)	HMDB
LysoPC(18:1W9/0:0)	HMDB
Lysophosphatidylcholine(18:1n9/0:0)	HMDB
Lysophosphatidylcholine(18:1W9/0:0)	HMDB
LysoPIC(18:1/0:0)	HMDB
Olein-1-mono-3-phosphate ester with choline	HMDB
Oleoyl lysolecithin	HMDB
Oleoyl lysophosphatidylcholine	HMDB
1-(cis-9-Octadecenoyl)-sn-glycero-3-phosphocholine	HMDB
1-OGPC	HMDB
1-Oleoyl lysophosphatidylcholine	HMDB
1-Oleoyl-lysopc	HMDB
1-O-Oleoyl-sn-glycero-3-phosphocholine	HMDB
1-Oleoyl-2-hydroxy-sn-glycerol-3-phosphocholine	HMDB
1-Oleoyl-GPC	HMDB
1-Oleoyl-lysophosphatidylcholine	HMDB
1-Oleoyl-sn-glycerol-3-phosphatidylcholine	HMDB
1-Oleoyl-sn-glycerol-3-phosphorylcholine	HMDB
GPC(18:1(9Z))	HMDB
GPC(18:1(9Z)/0:0)	HMDB
GPC(18:1)	HMDB
GPC(18:1n9)	HMDB
GPC(18:1n9/0:0)	HMDB
GPC(18:1W9)	HMDB
GPC(18:1W9/0:0)	HMDB
LPC(18:1(9Z))	HMDB
LPC(18:1n9)	HMDB
LPC(18:1W9)	HMDB
LysoPC(18:1n9)	HMDB
LysoPC(18:1W9)	HMDB
Lysophosphatidylcholine C18:1	HMDB
Lysophosphatidylcholine(18:1(9Z))	HMDB
Lysophosphatidylcholine(18:1n9)	HMDB
Lysophosphatidylcholine(18:1W9)	HMDB
LysoPC(18:1(9Z)/0:0)	ChEBI

Chemical Formula

C₂₆H₅₂NO₇P

Average Molecular Weight

521.6673

Monoisotopic Molecular Weight

521.348139535

IUPAC Name

(2-{[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

Traditional Name

(2-{[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propyl phosphono]oxy}ethyl)trimethylazanium

CAS Registry Number

3542-29-8

SMILES

[H][C@@](O)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C

InChI Identifier

InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1

InChI Key

YAMUFBLWGFFICM-PTGWMXDISA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-acyl-sn-glycero-3-phosphocholines. These are glycerophosphocholines in which the glycerol is esterified with a fatty acid at O-1 position, and linked at position 3 to a phosphocholine.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphocholines

Direct Parent

1-acyl-sn-glycero-3-phosphocholines

Alternative Parents

Substituents

1-acyl-sn-glycero-3-phosphocholine
Phosphocholine
Fatty acid ester
Dialkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Fatty acyl
Tetraalkylammonium salt
Quaternary ammonium salt
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxide
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Alcohol
Organic oxygen compound
Organopnictogen compound
Carbonyl group
Organic salt
Amine
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

oleoyl-sn-glycero-3-phosphocholine (CHEBI:28610 )
Monoacylglycerophosphocholines (LMGP01050032 )

Functional Ontology

Physiological effect

Organoleptic effect

Touch

Smooth (HMDB: HMDB0002815)

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0002815)
Extracellular (HMDB: HMDB0002815)
Cell membrane (HMDB: HMDB0002815)
Intracellular membrane (HMDB: HMDB0002815)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0002815)

Excreta

Biofluid or Excreta

Feces (HMDB: HMDB0002815)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0002815)

Source

Endogenous

Endogenous (HMDB: HMDB0002815)

Animal

Animal (HMDB: HMDB0002815)

Exogenous

Food

Food (HMDB: HMDB0002815)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Cereal and cereal product

Cereal

Gourd

Cucumber (FooDB: FOOD00065)

Fruit

Other fruit

Fig (FooDB: FOOD00081)

Herb and spice

Spice

Cardamom (FooDB: FOOD00074)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0002815)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0002815)

Lipid metabolism pathway (HMDB: HMDB0002815)

Cellular process

Cell signaling (HMDB: HMDB0002815)

Biochemical process

Lipid transport (HMDB: HMDB0002815)

Role

Industrial application

Manufacturing industry

Material processing agent

Coloring agent

Fluorescent agent

Immunological adjuvant (HMDB: HMDB0002815)

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0002815)

Food and nutrition

Food additive (HMDB: HMDB0002815)

Biological role

Energy source (HMDB: HMDB0002815)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.00028 g/L	ALOGPS
logP	2.38	ALOGPS
logP	1.72	ChemAxon
logS	-6.3	ALOGPS
pKa (Strongest Acidic)	1.86	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	105.12 Å²	ChemAxon
Rotatable Bond Count	25	ChemAxon
Refractivity	152.59 m³·mol⁻¹	ChemAxon
Polarizability	60.02 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0002815

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB005287

KNApSAcK ID

Not Available

Chemspider ID

17240641

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16081932

PDB ID

Not Available

ChEBI ID

28610

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Lysolecithin (CFc000333826)

MOL for CFc000333826 (Lysolecithin)

3D MOL for CFc000333826 (Lysolecithin)

3D SDF for CFc000333826 (Lysolecithin)

3D-SDF for CFc000333826 (Lysolecithin)

PDB for CFc000333826 (Lysolecithin)

3D PDB for CFc000333826 (Lysolecithin)

SMILES for CFc000333826 (Lysolecithin)

INCHI for CFc000333826 (Lysolecithin)

Structure for CFc000333826 (Lysolecithin)

3D Structure for CFc000333826 (Lysolecithin)