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840512C

Avanti

16:0 Phosphatidylethanol

1,2-dipalmitoyl-sn-glycero-3-phosphoethanol (sodium salt), chloroform

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Synonym(s):
1,2-dihexadecanoyl-sn-glycero-3-phosphoethanol (sodium salt)
Empirical Formula (Hill Notation):
C37H72O8PNa
CAS Number:
92609-90-0
Molecular Weight:
698.93
UNSPSC Code:
12352211
NACRES:
NA.25

Assay

>99% (TLC)

form

liquid

packaging

pkg of 1 × 2.5 mL (840512C-25mg)
pkg of 1 × 20 mL (840512C-500mg)

manufacturer/tradename

Avanti Polar Lipids 840512C

concentration

10 mg/mL (840512C-25mg)
25 mg/mL (840512C-500mg)

shipped in

dry ice

storage temp.

−20°C

SMILES string

[H][C@@](COP([O-])(OCC)=O)(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O.[Na+]

InChI

1S/C37H73O8P.Na/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)42-33-35(34-44-46(40,41)43-6-3)45-37(39)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h35H,4-34H2,1-3H3,(H,40,41);/q;+1/p-1/t35-;/m1./s1

InChI key

MAGNEPCJIVJZIK-RUQJKXHKSA-M

General description

Phosphatidylethanol (PEth) is an abnormal phospholipid found in the cellular membrane. It is spotted in the liver, skeletal muscle, brain and kidney of rat when its mainly exposed to ethanol. 16:0 Phosphatidylethanol/(1,2-dipalmitoyl-sn-glycero-3-phosphoethanol) has two palmitic acid chains.

Application

16:0 Phosphatidylethanol (Peth)/(1,2-dipalmitoyl-sn-glycero-3-phosphoethanol) may be used:
  • as an internal standard in liquid chromatography−mass spectrometry (LC-MS) analysis of PEth in human whole blood
  • as an internal standard to spike blood samples for in liquid chromatography high-resolution mass spectrometry (LC−HRMS) analysis
  • as a standard in calibration curve generation and validation of ultra-high performance liquid chromatography tandem mass spectrometry (UHPLC-ESI-MS/MS)

Biochem/physiol Actions

Phosphatidylethanol can be used as a biomarker in blood for chronic alcohol use.

Packaging

30 mL Amber Narrow Mouth Glass Bottle with Screw Cap (840512C-500mg)
5 mL Clear Glass Sealed Ampule (840512C-25mg)

Pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 Oral - STOT SE 3

Target Organs

Liver,Kidney, Respiratory system

WGK

WGK 3

Flash Point(F)

does not flash

Flash Point(C)

does not flash

Regulatory Information

易制毒化学品（2类）
危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Guido Viel et al.
International journal of molecular sciences, 13(11), 14788-14812 (2012-12-04)
The present paper aims at a systematic review of the current knowledge on phosphatidylethanol (PEth) in blood as a direct marker of chronic alcohol use and abuse. In March 2012, the search through "MeSH" and "free-text" protocols in the databases
Alessandro Nalesso et al.
Journal of chromatography. A, 1218(46), 8423-8431 (2011-10-18)
Phosphatidylethanol (PEth) is a group of aberrant phospholipids formed in cell membranes in the presence of ethanol by the catalytic action of the enzyme phospholipase D on phosphatidylcholine. Recently published literature has demonstrated the existence of several molecular species of
Siming Wang et al.
Talanta, 166, 315-320 (2017-02-19)
Phosphatidylethanol (PEth) is a special phospholipid that is only formed in the presence of ethanol, and therefore, serves as a promising biomarker for alcohol intake. In this study, a simple, rapid and precise method based on LC-MS/MS combined with ultrasound-assisted
Natalie Kummer et al.
Analytical and bioanalytical chemistry, 408(3), 825-838 (2015-11-26)
Phosphatidylethanol species (PEths) are promising biomarkers of alcohol consumption. Here, we report on the set-up, validation, and application of a novel UHPLC-ESI-MS/MS method for the quantification of PEth 16:0/18:1, PEth 18:1/18:1, and PEth 16:0/16:0 in whole blood (30 μL) and

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