2364-67-2
Product Name:
PALMITOYL CARNITINE
Formula:
C23H45NO4
Synonyms:
(2R)-3-Carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-1-propanaminium inner salt;L -Carnitine hexadecanoyl ester;C16-Carnitine;Hexadecanoyl-L -carnitine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 214 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 |
GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 399.6 g/mol |
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XLogP3 | 7.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 19 |
Exact Mass | 399.33485892 g/mol |
Monoisotopic Mass | 399.33485892 g/mol |
Topological Polar Surface Area | 66.4 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 398 |
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
O-palmitoyl-L-carnitine is an O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl). It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor, a human metabolite and a mouse metabolite. It is an O-palmitoylcarnitine and a saturated fatty acyl-L-carnitine. It is functionally related to a hexadecanoic acid.