94359-13-4
Product Name:
N-nervonoyl-D-erythro-sphingosylphosphorylcholine
Formula:
C47H93N2O6P
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 304.46 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] 305.07 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Zebrafish; Dataset: Sphingolipids] 307.63 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 | 813.2 g/mol |
|---|---|
| XLogP3 | 15.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 43 |
| Exact Mass | 812.67712569 g/mol |
| Monoisotopic Mass | 812.67712569 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 961 |
| 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-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine is a sphingomyelin d18:1 in which the N-acyl group is specified as (15Z)-tetracosenoyl. It has a role as a mouse metabolite. It is a sphingomyelin 42:2, a sphingomyelin d18:1 and a N-tetracosenoylsphingosine-1-phosphocholine. It is functionally related to a (15Z)-tetracosenoic acid.