Structure database (LMSD)

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LM IDLMSP02010014
Common NameCer(d18:1/2:0)
Systematic NameN-(acetyl)-sphing-4-enine
SynonymsC2-ceramide; N-(acetyl)-ceramide; N-(acetyl)-ceramide; N-acetylsphingosine;
Cer[NS]
Exact Mass
341.2930 (neutral)    Calculate m/z:
FormulaC20H39NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphingosines (ceramides) [SP0201]
AbbrevCer 20:1;O2
Abbrev ChainsCer 18:1;O2/2:0
PubChem CID5497136
CHEBI ID46979
SWISSLIPIDS IDSLM:000001066
CAYMAN ID62510
InChIKeyBLTCBVOJNNKFKC-QUDYQQOWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m0/s1
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SMILES
C(/[C@H]([C@H](CO)NC(=O)C)O)=C\CCCCCCCCCCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
386.65Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP4.96Molar
Refractivity
102.43