Structure database (LMSD)

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LM IDLMSP02020035
Common NameCer(d20:0/16:0(2OH))
Systematic NameN-(2-hydroxyhexadecanoyl)-eicosasphinganine
SynonymsCer[AdS]
Exact Mass
583.5540 (neutral)    Calculate m/z:
FormulaC36H73NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID70678842
SWISSLIPIDS IDSLM:000508896
InChIKeyRRAZIZSGJDNXLF-GWDKEWMYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H73NO4/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-34(39)33(32-38
)37-36(41)35(40)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h33-35,38-40H,3-32H2,1-2H3
,(H,37,41)/t33-,34+,35?/m0/s1
SMILES[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCC)=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 Atoms41Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
674.88Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP10.68Molar
Refractivity
178.30