Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02020023
Common NameCer(d20:0/16:0)
Systematic NameN-(hexadecanoyl)-eicosasphinganine
SynonymsN-(palmitoyl)-eicosasphinganine; Cer[NdS]
Exact Mass
567.5590 (neutral)    Calculate m/z:
FormulaC36H73NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID70678855
SWISSLIPIDS IDSLM:000396497
InChIKeyRFPFMLYRFUPWOS-OIDHKYIRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-35(39)34(33-38
)37-36(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H
,37,40)/t34-,35+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
ReferencesMass spectrometry-based profiling of phospholipids and sphingolipids in extracts from Saccharomyces cerevisiae
Xue Li Guan, Markus R. Wenk
Yeast,23(6), 465-477, (2006)
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
666.09Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP11.42Molar
Refractivity
176.40