Structure database (LMSD)

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LM IDLMSP00000008
Common NameCer(m18:1(4E)/24:0)
Systematic NameN-(tetracosanoyl)-1-deoxysphing-4-enine
SynonymsC24 1-deoxyCer
Exact Mass
633.6424 (neutral)    Calculate m/z:
FormulaC42H83NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID73242199
InChIKeySPBLYZJOQAUPPY-JGWXTICHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H83NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-3
7-39-42(45)43-40(3)41(44)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2/h36,38,40-41,4
4H,4-35,37,39H2,1-3H3,(H,43,45)/b38-36+/t40-,41+/m0/s1
SMILES[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms45Rings0Aromatic Rings0Rotatable Bonds37
 van der Waals
Molecular Volume
758.46Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP14.28Molar
Refractivity
202.10