Structure database (LMSD)

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LM IDLMSP02020042
Common NameCer(d18:0/29:0(29OH))
Systematic NameN-(29-hydroxy-nonacosanoyl)-sphinganine
SynonymsN-(29-hydroxy-nonacosanoyl)-dihydroceramide; N-(ω-hydroxy-nonacosanoyl)-
dihydroceramide; Cer[ODS]
Exact Mass
737.7261 (neutral)    Calculate m/z:
FormulaC47H95NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID-
InChIKeySLFSBQHMDYQSPO-CRCOQUFZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C47H95NO4/c1-2-3-4-5-6-7-8-23-26-29-32-35-38-41-46(51)45(44-50)48-47(52)42-39-36-33-30-27-24-21-19-17-15-13-11-9-10-12-14-16-18-20-22-25-28-31-34-37-40-43-49/h45-46,49-51H,2-44H2,1H3,(H,48,52)/t45-,46+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCO)=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 Atoms52Rings0Aromatic Rings0Rotatable Bonds45
 van der Waals
Molecular Volume
865.18Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP14.97Molar
Refractivity
229.08