Structure database (LMSD)

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LM IDLMSP02020021
Common NameCer(d18:0/15:0)
Systematic NameN-(pentadecanoyl)-sphinganine
SynonymsCer[NdS]
Exact Mass
525.5121 (neutral)    Calculate m/z:
FormulaC33H67NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID52931114
SWISSLIPIDS IDSLM:000395574
InChIKeyIZHDCKVGRKOGIB-AJQTZOPKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C33H67NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33
(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)/t
31-,32+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
614.19Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.25Molar
Refractivity
162.54