Structure database (LMSD)

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LM IDLMSP02020039
Common NameCer(d20:0/24:0(2OH))
Systematic NameN-(2-hydroxytetracosanoyl)-eicosasphinganine
SynonymsCer[AdS]
Exact Mass
695.6792 (neutral)    Calculate m/z:
FormulaC44H89NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID70678888
SWISSLIPIDS IDSLM:000508900
InChIKeyRZJNRDSXESJUNA-WJYGDXIFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39
-43(48)44(49)45-41(40-46)42(47)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h4
1-43,46-48H,3-40H2,1-2H3,(H,45,49)/t41-,42+,43?/m0/s1
SMILES[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCC
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 Atoms49Rings0Aromatic Rings0Rotatable Bonds41
 van der Waals
Molecular Volume
813.28Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP13.80Molar
Refractivity
215.23