Structure database (LMSD)

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LM IDLMSP02020040
Common NameCer(d20:0/26:0(2OH))
Systematic NameN-(2-hydroxyhexacosanoyl)-eicosasphinganine
SynonymsCer[AdS]
Exact Mass
723.7105 (neutral)    Calculate m/z:
FormulaC46H93NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID70678808
SWISSLIPIDS IDSLM:000508901
InChIKeyUGCVVUIFSSIJJV-ZWBBIZCESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C46H93NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37
-39-41-45(50)46(51)47-43(42-48)44(49)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-
4-2/h43-45,48-50H,3-42H2,1-2H3,(H,47,51)/t43-,44+,45?/m0/s1
SMILES[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCCCCCCCCCCCC)=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 Atoms51Rings0Aromatic Rings0Rotatable Bonds43
 van der Waals
Molecular Volume
847.88Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP14.58Molar
Refractivity
224.47