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Lysosphingomyelin

CAT: 0926-FL22805-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FL22805-03Size:5 mg
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CAS Number
1670-26-4
Synonyms
2-[[[[ (2S,3R ,4E) -2-Amino-3-hydroxy-4-octadecen-1-yl]oxy]hydroxyphosphinyl]oxy]-N, N , N-trimethyl-ethanaminium; Sphingenyl-1-phosphorylcholine
MDL Number
MFCD02259287
Smiles
CCCCCCCCCCCCC/C=C/[C@H] ([C@H] (COP (=O) ([O-]) OCC[N+] (C) (C) C) N) O
Molecular Formula
C23H49N2O5P
Molecular Weight
464.62 g/mol
Controlled
No

Chemical Information

Sphingosine-1-phosphocholine

Sphingosine-1-phosphocholine is a phosphosphingolipid consisting of sphingosine having a phosphocholine moiety attached to its primary hydroxyl group. It is an ammonium betaine, a phosphosphingolipid and a member of phosphocholines. It is functionally related to a sphingosine. It is a conjugate base of a sphingosylphosphocholine acid and a sphingosine-1-phosphocholine(1+).

CAS Number1670-26-4
PubChem CID9847290
IUPAC Name[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC23H49N2O5P
Molecular Weight464.6
XLogP4.7
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Heavy Atom Count31
Formal Charge0
Complexity489
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O
InChI
InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/b18-17+/t22-,23+/m0/s1
InChIKey
JLVSPVFPBBFMBE-HXSWCURESA-N
Chemical Structure
2D Structure
2D structure of Sphingosine-1-phosphocholine
CAS: 1670-26-4
CID: 9847290
Formula: C23H49N2O5P
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Exact Mass464.33790967
Monoisotopic Mass464.33790967
Topological Polar Surface Area105 Ų
Heavy Atom Count31
Formal Charge0
Complexity489
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

Alternative Products

CatalogName
MBS5798765Lysosphingomyelin (d18:1)
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165641Anti lysosphingomyelin Pab Rabbit
T38452L-threo Lysosphingomyelin (d18:1)
MBS5798139D-erythro/L-threo Lysosphingomyelin (d18:1)

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