Structure database (LMSD)

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LM IDLMSP02010010
Common NameCer(d18:1/26:1(17Z))
Systematic NameN-(17Z-hexacosenoyl)-sphing-4-enine
SynonymsC26:1 Cer; N-(17Z-hexacosenoyl)-ceramide; N-(17Z-hexacosenoyl)-ceramide;
Cer[NS]
Exact Mass
675.6529 (neutral)    Calculate m/z:
FormulaC44H85NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
PubChem CID5283569
HMDB IDHMDB04954
SWISSLIPIDS IDSLM:000395676
InChIKeyRBWQERGGVBSKJY-BWFPRIDFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C44H85NO3/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
8,37,39,42-43,46-47H,3-16,19-36,38,40-41H2,1-2H3,(H,45,48)/b18-17-,39-37+/t42-,4
3+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms48Rings0Aromatic Rings0Rotatable Bonds39
 van der Waals
Molecular Volume
799.21Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP14.10Molar
Refractivity
213.14