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C18 Sphingomyelin (d18:1/18:0)

CAT: 0013-GTR19232256-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232256-01Size:1 mg
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Description
C18 Sphingomyelin (d18:1/18:0) (CAS 54336-69-5) is a defined sphingolipid used as a standard or model membrane component in biochemical research. It is applied in studies of lipid rafts, cell signaling, and membrane biology in both in vitro and in vivo experimental systems.
CAS Number
54336-69-5
Smiles
C (NC (CCCCCCCCCCCCCCCCC) =O) (COP (OCC[N+] (C) (C) C) (=O) [O-]) C (C=CCCCCCCCCCCCCC) O
Molecular Formula
C41H83N2O6P
Molecular Weight
731.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS Number54336-69-5
PubChem CID5353953
IUPAC Name[(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC41H83N2O6P
Molecular Weight731.1
XLogP13.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count38
Heavy Atom Count50
Formal Charge0
Complexity826
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+
InChIKey
LKQLRGMMMAHREN-NWBJSICCSA-N
Chemical Structure
2D Structure
2D structure of [(E)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CAS: 54336-69-5
CID: 5353953
Formula: C41H83N2O6P
MW: 731.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight731.1
XLogP313.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count38
Exact Mass730.59887537
Monoisotopic Mass730.59887537
Topological Polar Surface Area108 Ų
Heavy Atom Count50
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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