Structure database (LMSD)

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LM IDLMSP02020013
Common NameCer(d18:0/26:1(17Z))
Systematic NameN-(17Z-hexacosenoyl)-sphinganine
SynonymsC26:1DH Cer; N-(17Z-hexacosenoyl)-dihydroceramide; N-(17Z-hexacosenoyl)-
dihydroceramide; Cer[NdS]
Exact Mass
677.6686 (neutral)    Calculate m/z:
FormulaC44H87NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID5283578
HMDB IDHMDB0011772
SWISSLIPIDS IDSLM:000000611
InChIKeyCTSPXOBSUIWAAB-SNMLQRCYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34
-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-1
8,42-43,46-47H,3-16,19-41H2,1-2H3,(H,45,48)/b18-17-/t42-,43+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms48Rings0Aromatic Rings0Rotatable Bonds40
 van der Waals
Molecular Volume
801.85Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP14.32Molar
Refractivity
213.24