CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 263.95 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] 272.01 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] 275.85 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] |
| Chemical Classes | Lipids -> Sphingolipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 624.1 g/mol |
|---|---|
| XLogP3 | 16.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 37 |
| Exact Mass | 623.62164545 g/mol |
| Monoisotopic Mass | 623.62164545 g/mol |
| Topological Polar Surface Area | 69.6 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 555 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
N-docosanoylsphinganine is a dihydroceramide in which the ceramide N-acyl group is specified as docosanoyl (behenoyl). It has a role as a mouse metabolite. It is functionally related to a docosanoic acid.