Structure database (LMSD)

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LM IDLMSP02020029
Common NameCer(d18:0/16:0(2OH))
Systematic NameN-(2-hydroxyhexadecanoyl)-sphinganine
SynonymsCer[AdS]
Exact Mass
555.5227 (neutral)    Calculate m/z:
FormulaC34H69NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID9959390
SWISSLIPIDS IDSLM:000000607
CAYMAN ID24436
InChIKeyNQXMVCBJWMTLGK-XIWRNSNHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34
(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-33,36-38H,3-30H2,1-2H3,(H,35
,39)/t31-,32+,33?/m0/s1
SMILES[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCC)=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 Atoms39Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
640.28Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
4
 logP9.90Molar
Refractivity
169.06