LIPID MAPS® Maintenance
Routine maintenance of the LIPID MAPS® web systems is scheduled for Friday 25th September, 2020.
LIPID MAPS® services will be 'at risk' all day. We apologise for any inconvenience this may cause.

Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010038
Common NameCer(d14:1/22:0)
Systematic NameN-(docosanoyl)-tetradecasphing-4-enine
SynonymsCer(d14:1(4E)/22:0); Cer[NS]
Exact Mass
565.5434 (neutral)    Calculate m/z:
FormulaC36H71NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 36:1;O2
Abbrev ChainsCer 14:1;O2/22:0
PubChem CID70698929
SWISSLIPIDS IDSLM:000397289
InChIKeyZEQGGWNOJHBYRD-NXCSZAMKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C36H71NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-12-10-8-6-4-2/h29,31,34-35,38-39H,3-28,30,32-33H2,1-2H3,(H,37,40)/b31-29+/t34-,35+/m0/s1
Click to highlight InChI
SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=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 Atoms40Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
663.45Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP11.20Molar
Refractivity
176.30