Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010004
Common NameCer(d18:1/16:0)
Systematic NameN-(hexadecanoyl)-sphing-4-enine
SynonymsC16 Cer; N-(hexadecanoyl)-ceramide; N-(palmitoyl)-ceramide; N-palmitoyl-
sphingosine; Cer[NS]
Exact Mass
537.5121 (neutral)    Calculate m/z:
FormulaC34H67NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem Compound ID (CID)5283564
HMDB IDHMDB04949
InChIKeyYDNKGFDKKRUKPY-TURZORIXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34
(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2
,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
628.85Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.42Molar
Refractivity
167.07    
logo LIPID MAPS is funded by a Wellcome Trust.