CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 206.89 Ų [M-H]- [CCS Type: TW, Method: calibrated with phosphatidylcholines (ESI+) and phosphatidylethanolamines (ESI-) doubly charged cardiolipins calibrated with poly-DL-alanine] |
COMPUTED DESCRIPTORS
| Molecular Weight | 453.5 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 23 |
| Exact Mass | 453.28553974 g/mol |
| Monoisotopic Mass | 453.28553974 g/mol |
| Topological Polar Surface Area | 133 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 443 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-hexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion is a lysophosphatidylethanolamine zwitterion 16:0 obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine. It is a lysophosphatidylethanolamine zwitterion 16:0 and a 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion. It is a tautomer of a 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine.