CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 286.75 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] 289.63 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] 293.12 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] |
| Chemical Classes | Lipids -> Sphingolipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 729.1 g/mol |
|---|---|
| XLogP3 | 12.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 37 |
| Exact Mass | 728.58322531 g/mol |
| Monoisotopic Mass | 728.58322531 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 867 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-oleoylsphingosine-1-phosphocholine is a N-octadecenolsphingosine-1-phosphocholine in which the acyl group specified is 9Z-octadecenoyl. It has a role as a mouse metabolite. It is functionally related to an oleic acid.