Palmitoyl sphingomyelin

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Systematic / IUPAC Name: (2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)-4-octadecen-1-yl 2-(trimethylammonio)ethyl phosphate

ID: Reference4865

Other Names: N-(Hexadecanoyl)-sphing-4-enine-1-phosphocholine;
N-Hexadecanoylsphing-4-enine-1-phosphocholine;
N-Hexadecanoylsphingomyelin;
N-Hexadecanoylsphingosine-1-phosphocholine;
N-Palmitoyl-D-erythro-sphingosylphosphorylcholine ; more

Formula: C39H80N2O6P+

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Palmitoyl sphingomyelin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 360
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/17/2016 7:17:12 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1
InChI Key RWKUXQNLWDTSLO-GWQJGLRPSA-N
Canonical SMILES
CAS 6254893
Splash
Other Names N-(Hexadecanoyl)-sphing-4-enine-1-phosphocholine;
N-Hexadecanoylsphing-4-enine-1-phosphocholine;
N-Hexadecanoylsphingomyelin;
N-Hexadecanoylsphingosine-1-phosphocholine;
N-Palmitoyl-D-erythro-sphingosylphosphorylcholine;
N-Palmitoylsphing-4-enine-1-phosphocholine;
N-Palmitoylsphingomyelin;
N-Palmitoylsphingosine-1-phosphocholine;
C16 Sphingomyelin;
Hexadecanoyl sphingomyelin;
SM(18:1/16:0);
(2S,3R,4E)-2-(Hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;
(2S,3R,4E)-2-(Palmitoylamino)-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;
(2S,3R,4E)-3-Hydroxy-2-(palmitoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate;
{[(2S,3R,4E)-2-Hexadecanamido-3-hydroxyoctadec-4-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid

In Other Databases

ChEBI CHEBI:78646
ChemSpider 8115562
PubChem 9939941