Phosphatidyl choline (from egg yolk)

CAT: 0926-IAA05753Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-IAA05753Size:250 g

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CAS Number

8057-53-2

Smiles

CC1=CC (=C (C=C1) N2C3=C (C=N2) C (=S) N=CN3) C

Molecular Formula

C42H82NO8P

Molecular Weight

760.1 g/mol

Controlled

Chemical Information

1-Oleoyl-2-palmitoylphosphatidylcholine

ETC-588, or LUV (large unilamellar vesicles), is made of naturally occurring lipids that circulate through arteries to facilitate the role of high-density lipoprotein (HDL) in removing accumulated cholesterol and other lipids from cells including those in the arterial wall. LUV are capable of transporting excess cholesterol from the vasculature to the liver for eventual elimination as part of the reverse lipid transport (RLT) pathway. It is believed that the removal of cholesterol by ETC-588 through this pathway may result in the reversal of atherosclerosis. Esperion is currently developing ETC-588 as a treatment for patients with acute coronary syndromes.

CAS Number	8057-53-2
PubChem CID	6449792
IUPAC Name	[2-hexadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C42H82NO8P
Molecular Weight	760.1
XLogP	13.6
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	41
Heavy Atom Count	52
Formal Charge	0
Complexity	899

SMILES

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

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-

InChIKey

RRVPPYNAZJRZFR-MRCUWXFGSA-N

Chemical Structure

2D Structure

CAS: 8057-53-2

CID: 6449792

Formula: C42H82NO8P

MW: 760.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	760.1
XLogP3	13.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	41
Exact Mass	759.57780557
Monoisotopic Mass	759.57780557
Topological Polar Surface Area	111 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	899
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Phosphatidyl choline (from egg yolk)

Chemical Information

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