Structure database (LMSD)

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LM IDLMSP02020043
Common NameCer(d18:0/30:0(30OH))
Systematic NameN-(30-hydroxy-triacontanoyl)-sphinganine
SynonymsN-(30-hydroxy-triacontanoyl)-dihydroceramide; N-(ω-hydroxy-triacontanoyl)-
dihydroceramide; Cer[ODS]
Exact Mass
751.7418 (neutral)    Calculate m/z:
FormulaC48H97NO4
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID138319213
InChIKeyADYHEXFRPAZRDF-KBRGEABDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C48H97NO4/c1-2-3-4-5-6-7-8-24-27-30-33-36-39-42-47(52)46(45-51)49-48(53)43-40-37-34-31-28-25-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-26-29-32-35-38-41-44-50/h46-47,50-52H,2-45H2,1H3,(H,49,53)/t46-,47+/m0/s1
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SMILES
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)=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 Atoms53Rings0Aromatic Rings0Rotatable Bonds46
 van der Waals
Molecular Volume
882.48Topological Polar
Surface Area
89.79Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP15.36Molar
Refractivity
233.70