Structure database (LMSD)

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LM IDLMSP00000004
Common NameCer(m18:1(4E)/16:0)
Systematic NameN-(hexadecanoyl)-1-deoxysphing-4-enine
SynonymsC16 1-deoxyCer
Exact Mass
521.5172 (neutral)    Calculate m/z:
FormulaC34H67NO2
CategorySphingolipids [SP]
Main ClassOther Sphingolipids [SP00]
Sub Class-
PubChem CID73242195
InChIKeyOMAZTBDOTJASLA-RLLISAASSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H67NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37
)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h28,30,32-33,36H,4-27,29,31H2,1-3H3,(H
,35,37)/b30-28+/t32-,33+/m0/s1
SMILES[C@](C)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings0Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
620.06Topological Polar
Surface Area
49.33Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP11.16Molar
Refractivity
165.17