Structure Database (LMSD)

Common Name
Cer(d18:0/28:0(28OH))
Systematic Name
N-(28-hydroxy-octacosanoyl)-sphinganine
Synonyms
  • N-(28-hydroxy-octacosanoyl)-dihydroceramide
  • N-(omega-hydroxy-octacosanoyl)-dihydroceramide
  • Cer[ODS]
LM ID
LMSP02020041
Formula
C46H93NO4
Exact Mass
Calculate m/z
723.710459
Sum Composition
Cer 46:0;O3
Abbrev Chains
Cer 18:0;O2/28:0;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

Reactions

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Reactions graph legend

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Mus musculus (#10090)
Mammalia (#40674)
Comparative profiling and comprehensive quantification of stratum corneum ceramides in humans and mice by LC/MS/MS.,
J Lipid Res, 2020
Pubmed ID: 32265320

String Representations

InChiKey (Click to copy)
ZQEYKUQTHJFTJZ-YWPUXERESA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCO)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
170583360

Calculated Physicochemical Properties

Heavy Atoms 51
Rings 0
Aromatic Rings 0
Rotatable Bonds 44
Van der Waals Molecular Volume 847.88
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 14.58
Molar Refractivity 224.47

Admin

Created at
24th Apr 2020
Updated at
24th Apr 2020