Structure Database (LMSD)

Common Name
Cer(d18:0/30:0(30OH))
Systematic Name
N-(30-hydroxy-triacontanoyl)-sphinganine
Synonyms
  • N-(30-hydroxy-triacontanoyl)-dihydroceramide
  • N-(omega-hydroxy-triacontanoyl)-dihydroceramide
  • Cer[ODS]
LM ID
LMSP02020043
Formula
C48H97NO4
Exact Mass
Calculate m/z
751.741759
Sum Composition
Cer 48:0;O3
Abbrev Chains
Cer 18:0;O2/30:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
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)
ADYHEXFRPAZRDF-KBRGEABDSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

PubChem CID
138319213

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 0
Aromatic Rings 0
Rotatable Bonds 46
Van der Waals Molecular Volume 882.48
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 15.36
Molar Refractivity 233.70

Admin

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