Structure database (LMSD)

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LM IDLMSP02010036
Common NameCer(d14:1/20:0)
Systematic NameN-(eicosanoyl)-tetradecasphing-4-enine
SynonymsCer(d14:1(4E)/20:0); Cer[NS]
Exact Mass
537.5121 (neutral)    Calculate m/z:
FormulaC34H67NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID11092732
SWISSLIPIDS IDSLM:000397291
InChIKeyDLTXHYMYPKOZOA-TURZORIXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(38)35
-32(31-36)33(37)29-27-25-23-21-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2
,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
628.85Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.42Molar
Refractivity
167.07