Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010032
Common NameCer(d18:1/19:0)
Systematic NameN-(nonadecanoyl)-sphing-4-enine
SynonymsCer[NS]
Exact Mass
579.5590 (neutral)    Calculate m/z:
FormulaC37H73NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID52931126
SWISSLIPIDS IDSLM:000395712
CAYMAN ID24395
InChIKeySNMLDULQFHAZRC-RQDJVNCUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H73NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(41)38-35
(34-39)36(40)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h30,32,35-36,39-40H,3-29,3
1,33-34H2,1-2H3,(H,38,41)/b32-30+/t35-,36+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms41Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
680.75Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP11.59Molar
Refractivity
180.92