Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010051
Common NameCer(d14:2(4E,6E)/16:0)
Systematic NameN-(hexadecanoyl)-4E,6E-tetradecasphingadienine
SynonymsCer[NS]
Exact Mass
479.4338 (neutral)    Calculate m/z:
FormulaC30H57NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID70698940
InChIKeySUFXADQEIOCBSI-FPLHUCQRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H57NO3/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/h19,21,23,25,28-29,32-33H,3-18,20,22,24,26-27H2
,1-2H3,(H,31,34)/b21-19+,25-23+/t28-,29+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms34Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
557.01Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP8.64Molar
Refractivity
148.51