Structure database (LMSD)

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LM IDLMSP02010024
Common NameCer(d18:2/16:0)
Systematic NameN-(hexadecanoyl)-4E,14Z-sphingadienine
SynonymsCer[NS]
Exact Mass
535.4964 (neutral)    Calculate m/z:
FormulaC34H65NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID52931118
InChIKeyXXWRZIYYFPIQHE-XPAOSYCESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H65NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34
(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,27,29,32-33,36-37H,3-6,8,10-26
,28,30-31H2,1-2H3,(H,35,38)/b9-7-,29-27+/t32-,33+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
626.21Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.20Molar
Refractivity
166.97