Structure database (LMSD)

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LM IDLMSP02020001
Common NameCer(d18:0/16:0)
Systematic NameN-(hexadecanoyl)-sphinganine
SynonymsC16DH Cer; N-(hexadecanoyl)-dihydroceramide; N-(palmitoyl)-dihydroceramide;
Cer[NdS]
Exact Mass
539.5277 (neutral)    Calculate m/z:
FormulaC34H69NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID5283572
HMDB IDHMDB0011760
SWISSLIPIDS IDSLM:000000562
CAYMAN ID24369
InChIKeyGCGTXOVNNFGTPQ-JHOUSYSJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C34H69NO3/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/h32-33,36-37H,3-31H2,1-2H3,(H,35,38
)/t32-,33+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra      Predict MS/MS spectrum ([M-H]-)
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms38Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
631.49Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.64Molar
Refractivity
167.16