Structure database (LMSD)

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LM IDLMSP02020027
Common NameCer(d20:0/24:0)
Systematic NameN-(tetracosanoyl)-eicosasphinganine
SynonymsCer[NdS]
Exact Mass
679.6842 (neutral)    Calculate m/z:
FormulaC44H89NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID70678830
SWISSLIPIDS IDSLM:000396505
InChIKeyOEROUXQFUNUVIP-WZYYJWNZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H89NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38
-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h42-4
3,46-47H,3-41H2,1-2H3,(H,45,48)/t42-,43+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
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 Atoms48Rings0Aromatic Rings0Rotatable Bonds41
 van der Waals
Molecular Volume
804.49Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP14.55Molar
Refractivity
213.33