Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02010003
Common NameCer(d18:1/18:1(9Z))
Systematic NameN-(9Z-octadecenoyl)-sphing-4-enine
SynonymsC18:1 Cer; N-(9Z-octadecenoyl)-ceramide; N-(oleoyl)-ceramide; N-oleoyl-
sphingosine; Cer[NS]
Exact Mass
563.5277 (neutral)    Calculate m/z:
FormulaC36H69NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 36:2;O2
Abbrev ChainsCer 18:1;O2/18:1
PubChem CID5283563
HMDB IDHMDB0004948
CHEBI ID77996
SWISSLIPIDS IDSLM:000389560
CAYMAN ID24397
InChIKeyOBFSLMQLPNKVRW-RHPAUOISSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C36H69NO3/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/h17-18,29,31,34-35,38-39H,3-16,19-28,30,32-33H2,1-2H3,(H,37,40)/b18-17-,31-29+/t34-,35+/m0/s1
Click to highlight InChI
SMILES
OC[C@]([H])(NC(=O)CCCCCCC/C=C\CCCCCCCC)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Click to highlight SMILES
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings0Aromatic Rings0Rotatable Bonds31
 van der Waals
Molecular Volume
660.81Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP10.98Molar
Refractivity
176.21