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 IDLMSP02030010
Common NameCer(t20:0/18:0)
Systematic NameN-(octadecanoyl)-4R-hydroxy-eicosasphinganine
SynonymsN-(stearoyl)-4-hydroxyeicosasphinganine; Cer[NP]
Exact Mass
611.5853 (neutral)    Calculate m/z:
FormulaC38H77NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]
AbbrevCer 38:0;O3
Abbrev ChainsCer 20:0;O3/18:0
PubChem CID70678874
CHEBI ID67006
SWISSLIPIDS IDSLM:000396581
InChIKeyNLTYFOOPVAINTQ-BEAALGTASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C38H77NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(42)39-35(34-40)38(43)36(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,38,40-41,43H,3-34H2,1-2H3,(H,39,42)/t35-,36+,38-/m0/s1
Click to highlight InChI
SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCCCC
Click to highlight SMILES
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 Atoms43Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
709.48Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP11.46Molar
Refractivity
187.53