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24696-26-2

24696-26-2 structural image
Product Name: C16 CERAMIDE
Formula: C34H67NO3
Synonyms: N-palmitoyl-D-erythro-sphingosine;C16-Ceramide;Cer(d18:1/16:0);C16 Ceramide (d18:1/16:0);(2S,3R,4E)-2-(Palmitoylamino)-4-octadecene-1,3-diol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility Insoluble
Collision Cross Section 244.61 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] 251.12 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] 255.41 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids]
Chemical Classes Lipids -> Sphingolipids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 537.9 g/mol
XLogP3 12.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 30
Exact Mass 537.51209500 g/mol
Monoisotopic Mass 537.51209500 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 508
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

N-hexadecanoylsphingosine is a N-acylsphingosine in which the ceramide N-acyl group is specified as hexadecanoyl (palmitoyl). It has a role as a Mycoplasma genitalium metabolite and a human blood serum metabolite. It is a N-acylsphingosine, a Cer(d34:1) and a N-palmitoyl-sphingoid base. It is functionally related to a hexadecanoic acid.