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74936-60-0

74936-60-0 structural image
Product Name: 1-HEXADECANOYL-2-[(CIS,CIS,CIS,CIS)-5,8,11,14-EICOSATETRAENOYL]-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula: C44H80NO8P
Synonyms: L-α-Phosphatidylcholine, β-arachidonoyl-γ-palmitoyl;1-Hexadecanoyl-2-([cis,cis,cis,cis]-5,8,11,14-eicosatetraenoyl)-sn-glycero-3-phosphocholine;PC
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 295.53 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids]
Chemical Classes Lipids -> Ambiguous Lipids

COMPUTED DESCRIPTORS

Molecular Weight 782.1 g/mol
XLogP3 12.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 40
Exact Mass 781.56215551 g/mol
Monoisotopic Mass 781.56215551 g/mol
Topological Polar Surface Area 111 Ų
Heavy Atom Count 54
Formal Charge 0
Complexity 1060
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

1-arachidonoyl-2-palmitoyl-sn-glycero-3-phosphocholine is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at position 1 and 2 are specified as arachidonoyl and palmitoyl respectively. It is a 1,2-diacyl-sn-glycero-3-phosphocholine and a phosphatidylcholine (20:4/16:0). It is functionally related to a hexadecanoic acid and an arachidonic acid.