Structure database (LMSD)

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LM IDLMSP02020041
Common NameCer(d18:0/28:0(28OH))
Systematic NameN-(28-hydroxy-octacosanoyl)-sphinganine
SynonymsN-(28-hydroxy-octacosanoyl)-dihydroceramide; N-(ω-hydroxy-octacosanoyl)-
dihydroceramide; Cer[ODS]
Exact Mass
723.7105 (neutral)    Calculate m/z:
FormulaC46H93NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID-
InChIKeyZQEYKUQTHJFTJZ-YWPUXERESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C46H93NO4/c1-2-3-4-5-6-7-8-22-25-28-31-34-37-40-45(50)44(43-49)47-46(51)41-38-35-32-29-26-23-20-18-16-14-12-10-9-11-13-15-17-19-21-24-27-30-33-36-39-42-48/h44-45,48-50H,2-43H2,1H3,(H,47,51)/t44-,45+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCO)=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 Atoms51Rings0Aromatic Rings0Rotatable Bonds44
 van der Waals
Molecular Volume
847.88Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP14.58Molar
Refractivity
224.47