70778-75-5
Product Name:
1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphocholine
Formula:
C42H82NO8P?0.5H2O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Collision Cross Section | 287.22 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 290.58 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 293.91 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 | 760.1 g/mol |
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XLogP3 | 13.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 41 |
Exact Mass | 759.57780557 g/mol |
Monoisotopic Mass | 759.57780557 g/mol |
Topological Polar Surface Area | 111 Ų |
Heavy Atom Count | 52 |
Formal Charge | 0 |
Complexity | 899 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is a phosphatidylcholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively. It has a role as a mouse metabolite. It is a phosphatidylcholine 34:1 and a 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine. It is functionally related to a hexadecanoic acid and an oleic acid.