Structure database (LMSD)

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LM IDLMSP02010053
Common NameCer(d14:2(4E,6E)/18:1(9Z))
Systematic NameN-(9Z-octadecenoyl)-4E,6E-tetradecasphingadienine
SynonymsCer[NS]
Exact Mass
505.4495 (neutral)    Calculate m/z:
FormulaC32H59NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID70698942
InChIKeyCGTRJQCZAJENJT-LPDDRZGOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H59NO3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(36)33-30(29
-34)31(35)27-25-23-21-19-12-10-8-6-4-2/h15-16,21,23,25,27,30-31,34-35H,3-14,17-2
0,22,24,26,28-29H2,1-2H3,(H,33,36)/b16-15-,23-21+,27-25+/t30-,31+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/C=C/CCCCCCC
StatusActive
ReferencesDrosophila membrane sphingolipids
Source: Xueli Guan, Markus R Wenk
Calculated physicochemical properties (?):
 Heavy Atoms36Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
588.97Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP9.19Molar
Refractivity
157.65