Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02020012
Common NameCer(d18:0/24:0)
Systematic NameN-(tetracosanoyl)-sphinganine
SynonymsC24DH Cer; N-(tetracosanoyl)-dihydroceramide; N-(tetracosanoyl)-
dihydroceramide; Cer[NdS]
Exact Mass
651.6529 (neutral)    Calculate m/z:
FormulaC42H85NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID5283577
HMDB IDHMDB0011768
SWISSLIPIDS IDSLM:000000491
CAYMAN ID25602
InChIKeyBPLYVSYSBPLDOA-WVILEFPPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H85NO3/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/h40-41,44-4
5H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume
769.89Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP13.77Molar
Refractivity
204.10