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Sphingomyelin (d18:1/12:0)

CAT: 0931-T201049-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T201049-01Size:100 mg
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CAS Number
474923-21-2
Target
Endogenous Metabolite, Others
Related Pathways
Others, Metabolism
Bioactivity
Sphingomyelin (d18:1/12:0) is a polar lipid known for its role in modulating cell signal transduction. It plays a critical role in cell membranes, influencing their fluidity and stability. Additionally, sphingomyelin (d18:1/12:0) is involved in lipid metabolism and has potential in promoting neuronal cell growth. This compound is essential for the functioning and development of the nervous system.
Smiles
[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(CCCCCCCCCCC)=O
Molecular Formula
C35H71N2O6P
Molecular Weight
646.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(Dodecanoyl)-sphing-4-enine-1-phosphocholine

N-lauroylsphingosine-1-phosphocholine is a sphingomyelin d18:1 in which the ceramide N-acyl group is specified as dodecanoyl (lauroyl). It is a sphingomyelin d18:1 and a sphingomyelin 30:1.

CAS Number474923-21-2
PubChem CID44260123
IUPAC Name[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC35H71N2O6P
Molecular Weight646.9
XLogP10.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count32
Heavy Atom Count44
Formal Charge0
Complexity735
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C35H71N2O6P/c1-6-8-10-12-14-16-17-18-19-21-22-24-26-28-34(38)33(32-43-44(40,41)42-31-30-37(3,4)5)36-35(39)29-27-25-23-20-15-13-11-9-7-2/h26,28,33-34,38H,6-25,27,29-32H2,1-5H3,(H-,36,39,40,41)/b28-26+/t33-,34+/m0/s1
InChIKey
HZCLJRFPXMKWHR-FEBLJDHQSA-N
Chemical Structure
2D Structure
2D structure of N-(Dodecanoyl)-sphing-4-enine-1-phosphocholine
CAS: 474923-21-2
CID: 44260123
Formula: C35H71N2O6P
MW: 646.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight646.9
XLogP310.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count32
Exact Mass646.50497499
Monoisotopic Mass646.50497499
Topological Polar Surface Area108 Ų
Heavy Atom Count44
Formal Charge0
Complexity735
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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