Structure database (LMSD)

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LM IDLMSP02020045
Common NameCer(d18:0/32:0(32OH))
Systematic NameN-(32-hydroxy-dotriacontanoyl)-sphinganine
SynonymsN-(32-hydroxy-dotriacontanoyl)-dihydroceramide; N-(ω-hydroxy-dotriacontanoyl)-
dihydroceramide; Cer[ODS]
Exact Mass
779.7731 (neutral)    Calculate m/z:
FormulaC50H101NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID-
InChIKeyIAULUIPPSLWSKF-NXWRKTHKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C50H101NO4/c1-2-3-4-5-6-7-8-26-29-32-35-38-41-44-49(54)48(47-53)51-50(55)45-42-39-36-33-30-27-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-28-31-34-37-40-43-46-52/h48-49,52-54H,2-47H2,1H3,(H,51,55)/t48-,49+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
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StatusActive
ReferencesComparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC-MS/MS.
J Lipid Res. 2020
DOI: 10.1194/jlr.RA120000671
PMID: 32265320
Calculated physicochemical properties (?):
 Heavy Atoms55Rings0Aromatic Rings0Rotatable Bonds48
 van der Waals
Molecular Volume
917.08Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP16.14Molar
Refractivity
242.94