Structure database (LMSD)

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LM IDLMSP02020031
Common NameCer(d18:0/20:0(2OH))
Systematic NameN-(2-hydroxyeicosanoyl)-sphinganine
SynonymsCer[AdS]
Exact Mass
611.5853 (neutral)    Calculate m/z:
FormulaC38H77NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID56985034
SWISSLIPIDS IDSLM:000508884
InChIKeyQZPHNIHBKGRHTP-IFXQGTRDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C38H77NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(42)38(43
)39-35(34-40)36(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h35-37,40-42H,3-34H2
,1-2H3,(H,39,43)/t35-,36+,37?/m0/s1
SMILES[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
ReferencesMass spectrometry-based profiling of phospholipids and sphingolipids in extracts from Saccharomyces cerevisiae
Xue Li Guan, Markus R. Wenk
Yeast,23(6), 465-477, (2006)
Calculated physicochemical properties (?):
 Heavy Atoms43Rings0Aromatic Rings0Rotatable Bonds35
 van der Waals
Molecular Volume
709.48Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP11.46Molar
Refractivity
187.53