Structure database (LMSD)

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LM IDLMSP02010029
Common NameCer(d18:2/22:0)
Systematic NameN-(docosanoyl)-4E,14Z-sphingadienine
SynonymsCer[NS]
Exact Mass
619.5903 (neutral)    Calculate m/z:
FormulaC40H77NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID52931123
InChIKeyHILTUFAERVOALR-MQXYEJFFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40
(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10,33,35,38-39
,42-43H,3-7,9,11-32,34,36-37H2,1-2H3,(H,41,44)/b10-8-,35-33+/t38-,39+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms44Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
730.01Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP12.54Molar
Refractivity
194.68