Structure Database (LMSD)

Common Name
Cer(d18:0/20:0)
Systematic Name
N-(eicosanoyl)-sphinganine
Synonyms
  • C20DH Cer
  • N-(eicosanoyl)-dihydroceramide
  • N-(eicosanoyl)-dihydroceramide
  • Cer[NdS]
LM ID
LMSP02020009
Formula
C38H77NO3
Exact Mass
Calculate m/z
595.590344
Sum Composition
Cer 38:0;O2
Abbrev Chains
Cer 18:0;O2/20:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

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
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
ZWAUSWHRQBSECP-PQQNNWGCSA-N
InChi (Click to copy)
InChI=1S/C38H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h36-37,40-41H,3-35H2,1-2H3,(H,39,42)/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0011764
CHEBI ID
67027
PubChem CID
5283574
SwissLipids ID
SLM:000000597

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 700.69
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 12.20
Molar Refractivity 185.63

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Updated at
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