Structure database (LMSD)

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LM IDLMSP02020008
Common NameCer(d18:0/18:0)
Systematic NameN-(octadecanoyl)-sphinganine
SynonymsC18DH Cer; N-(octadecanoyl)-dihydroceramide; N-(stearoyl)-dihydroceramide;
Cer[NdS]
Exact Mass
567.5590 (neutral)    Calculate m/z:
FormulaC36H73NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID5283573
HMDB IDHMDB0011761
SWISSLIPIDS IDSLM:000000596
CAYMAN ID24379
InChIKeyKZTJQXAANJHSCE-OIDHKYIRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33
-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H
,37,40)/t34-,35+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds33
 van der Waals
Molecular Volume
666.09Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP11.42Molar
Refractivity
176.40