Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010012
Common NameCer(d18:1/24:0)
Systematic NameN-(tetracosanoyl)-sphing-4-enine
SynonymsC24 Cer; N-(tetracosanoyl)-ceramide; N-(tetracosanoyl)-ceramide; N-lignoceroyl-
sphingosine; Cer[NS]
Exact Mass
649.6373 (neutral)    Calculate m/z:
FormulaC42H83NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 42:1;O2
Abbrev ChainsCer 18:1;O2/24:0
PubChem CID5283571
HMDB IDHMDB0004956
CHEBI ID72965
SWISSLIPIDS IDSLM:000000634
InChIKeyZJVVOYPTFQEGPH-AUTSUKAISA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1
Click to highlight InChI
SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Click to highlight SMILES
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
767.25Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP13.54Molar
Refractivity
204.00