Structure database (LMSD)

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LM IDLMSP02010042
Common NameCer(d14:1/26:0)
Systematic NameN-(hexacosanoyl)-tetradecasphing-4-enine
SynonymsCer(d14:1(4E)/26:0); Cer[NS]
Exact Mass
621.6060 (neutral)    Calculate m/z:
FormulaC40H79NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID70698933
SWISSLIPIDS IDSLM:000397294
InChIKeyASKHOXZWEDLQAR-GLQCRSEXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C40H79NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30
-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-12-10-8-6-4-2/h33,35,38-39,42-4
3H,3-32,34,36-37H2,1-2H3,(H,41,44)/b35-33+/t38-,39+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=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 Atoms44Rings0Aromatic Rings0Rotatable Bonds36
 van der Waals
Molecular Volume
732.65Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP12.76Molar
Refractivity
194.77