Structure database (LMSD)

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LM IDLMSP02020016
Common NameCer(d18:0/14:0)
Systematic NameN-(tetradecanoyl)-sphinganine
SynonymsC14DH Cer; N-(tetradecanoyl)-dihydroceramide; N-(myristoyl)-dihydroceramide;
Cer[NdS]
Exact Mass
511.4964 (neutral)    Calculate m/z:
FormulaC32H65NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID10255824
HMDB IDHMDB0011759
SWISSLIPIDS IDSLM:000000598
InChIKeyUDTSZXVRDXQARY-IOWSJCHKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32
(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-
,31+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms36Rings0Aromatic Rings0Rotatable Bonds29
 van der Waals
Molecular Volume
596.89Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP9.86Molar
Refractivity
157.93