74936-60-0
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
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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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 |
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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.