CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 324.95 Ų [M+NH4]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] |
| Chemical Classes | Lipids -> Ambiguous Lipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 863.4 g/mol |
|---|---|
| XLogP3 | 24.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 54 |
| Exact Mass | 862.79894110 g/mol |
| Monoisotopic Mass | 862.79894110 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 905 |
| 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-2,3-dioctadecanoyl-sn-glycerol is a triacyl-sn-glycerol in which the which the acyl groups at position 1 is specified as hexadecanoyl, while those at positions 2 and 3 are specified as octadecanoyl It has a role as a human blood serum metabolite.