Structure database (LMSD)

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LM IDLMSP02010043
Common NameCer(d15:1/20:0)
Systematic NameN-(eicosanoyl)-pentadecasphing-4-enine
SynonymsCer(d15:1(4E)/20:0); Cer[NS]
Exact Mass
551.5277 (neutral)    Calculate m/z:
FormulaC35H69NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID70698934
InChIKeySLZWCRVFSKONQF-QKSCFGQVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-35(39)36
-33(32-37)34(38)30-28-26-24-22-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-3
2H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCC
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 Atoms39Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
646.15Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.81Molar
Refractivity
171.68