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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010037
Common NameCer(d14:1/20:1)
Systematic NameN-(11Z-eicosenoyl)-tetradecasphing-4-enine
SynonymsCer(d14:1(4E)/20:1(11Z)); Cer[NS]
Exact Mass
535.4964 (neutral)    Calculate m/z:
FormulaC34H65NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 34:2;O2
Abbrev ChainsCer 14:1;O2/20:1
PubChem CID70698928
SWISSLIPIDS IDSLM:000397236
InChIKeyDKQPXKGVDIXPMN-ISNALYLISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h15-16,27,29,32-33,36-37H,3-14,17-26,28,30-31H2,1-2H3,(H,35,38)/b16-15-,29-27+/t32-,33+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC
Click to highlight SMILES
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
626.21Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.20Molar
Refractivity
166.97