Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02020017
Common NameCer(d18:0/h24:0)
Systematic NameN-(24-hydroxytetracosanoyl)-sphinganine
SynonymsN-(24-hydroxytetracosanyl)-dihydrosphingosine; ceramide-2' (sphinganine:N-
C24:0OH); ceramide-2' (sphinganine:NC24:ωOH); Cer[OdS]
Exact Mass
667.6479 (neutral)    Calculate m/z:
FormulaC42H85NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID25271603
CHEBI ID52371
InChIKeyZQGNZSWBCQGWAO-WVILEFPPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H85NO4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36-41(46)40(39-45)43-42(47
)37-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35-38-44/h40-41,4
4-46H,2-39H2,1H3,(H,43,47)/t40-,41+/m0/s1
SMILESC(CCCC)CCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCO)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms47Rings0Aromatic Rings0Rotatable Bonds40
 van der Waals
Molecular Volume
778.68Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP13.02Molar
Refractivity
206.00