13962-05-5
Product Name:
oleoylcarnitine
Synonyms:
(2R)-3-Carboxy-N,N,N-trimethyl-2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-propanaminium inner salt;cis-9-Octadecenoyl-L -carnitine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 215.39 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids] |
|---|---|
| Chemical Classes | Lipids -> Unambiguous Lipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 425.6 g/mol |
|---|---|
| XLogP3 | 7.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 20 |
| Exact Mass | 425.35050898 g/mol |
| Monoisotopic Mass | 425.35050898 g/mol |
| Topological Polar Surface Area | 66.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 463 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
O-oleoylcarnitine is an O-acylcarnitine having oleoyl as the acyl substituent. It has a role as a human metabolite.