CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 304.27 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] 306.82 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] |
| Chemical Classes | Lipids -> Sphingolipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 801.2 g/mol |
|---|---|
| XLogP3 | 16.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 43 |
| Exact Mass | 800.67712569 g/mol |
| Monoisotopic Mass | 800.67712569 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 903 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
N-tricosanoylsphing-4-enine-1-phosphocholine is a sphingomyelin 41:1 in which the N-acyl group and sphingoid base are specified as tricosanoyl and sphingosine respectively. It has a role as a mouse metabolite and a ceramide allergen. It is functionally related to a tricosanoic acid.