Structure database (LMSD)

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LM IDLMSP02010026
Common NameCer(d18:2/20:0)
Systematic NameN-(eicosanoyl)-4E,14Z-sphingadienine
SynonymsCer[NS]
Exact Mass
591.5590 (neutral)    Calculate m/z:
FormulaC38H73NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID52931120
InChIKeyFNIDWIWVIDQZRV-FDPIOYFLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H73NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39
-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10,31,33,36-37,40-41
H,3-7,9,11-30,32,34-35H2,1-2H3,(H,39,42)/b10-8-,33-31+/t36-,37+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms42Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
695.41Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP11.76Molar
Refractivity
185.44