Structure database (LMSD)

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LM IDLMSP02010033
Common NameCer(d14:1/16:0)
Systematic NameN-(hexadecanoyl)-tetradecasphing-4-enine
SynonymsCer(d14:1(4E)/16:0); Cer[NS]
Exact Mass
481.4495 (neutral)    Calculate m/z:
FormulaC30H59NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 30:1;O2
Abbrev ChainsCer 14:1;O2/16:0
PubChem CID70698926
SWISSLIPIDS IDSLM:000397295
InChIKeyOCXQIBPNDRJADM-VARSQMIESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H59NO3/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(34)31-28(27-32)29(33)25-23-21-19-17-12-10-8-6-4-2/h23,25,28-29,32-33H,3-22,24,26-27H2,1-2H3,(H,31,34)/b25-23+/t28-,29+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCC
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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 Atoms34Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
559.65Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP8.86Molar
Refractivity
148.60