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Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010009
Common NameCer(d18:1/24:1(15Z))
Systematic NameN-(15Z-tetracosenoyl)-sphing-4-enine
SynonymsC24:1 Cer; N-(15Z-tetracosenoyl)-ceramide; N-(15Z-tetracosenoyl)-ceramide; N-
nervonyl-sphingosine; Cer[NS]
Exact Mass
647.6216 (neutral)    Calculate m/z:
FormulaC42H81NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 42:2;O2
Abbrev ChainsCer 18:1;O2/24:1
PubChem CID5283568
HMDB IDHMDB0004953
CHEBI ID74450
SWISSLIPIDS IDSLM:000389187
CAYMAN ID62530
InChIKeyVJSBNBBOSZJDKB-KPEYJIHVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C42H81NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,35,37,40-41,44-45H,3-16,19-34,36,38-39H2,1-2H3,(H,43,46)/b18-17-,37-35+/t40-,41+/m0/s1
Click to highlight InChI
SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds37
 van der Waals
Molecular Volume
764.61Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP13.32Molar
Refractivity
203.91