Structure database (LMSD)

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LM IDLMSP02020015
Common NameCer(d18:0/18:1(9Z))
Systematic NameN-(9Z-octadecenoyl)-sphinganine
SynonymsC18:1DH Cer; N-(9Z-octadecenoyl)-dihydroceramide; N-(oleoyl)-dihydroceramide;
Cer[NdS]
Exact Mass
565.5434 (neutral)    Calculate m/z:
FormulaC36H71NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID6442676
HMDB IDHMDB0011763
SWISSLIPIDS IDSLM:000000599
InChIKeyMJQIARGPQMNBGT-WWUCIAQXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C36H71NO3/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/h17-18,34-35,38-39H,3-16,19-3
3H2,1-2H3,(H,37,40)/b18-17-/t34-,35+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
663.45Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP11.20Molar
Refractivity
176.30