Structure Database (LMSD)

Common Name
Cer(t18:0/23:0)
Systematic Name
N-(tricosanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(tricosanoyl)-phytoceramide
  • Cer[NP]
LM ID
LMSP02030056
Formula
C41H83NO4
Exact Mass
Calculate m/z
653.632209
Sum Composition
Cer 41:0;O3
Abbrev Chains
Cer 18:0;O3/23:0
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-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
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)
MBPABCUJJLJOFM-CUVPNIRJSA-N
InChi (Click to copy)
InChI=1S/C41H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(45)42-38(37-43)41(46)39(44)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-39,41,43-44,46H,3-37H2,1-2H3,(H,42,45)/t38-,39+,41-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

Other Databases

PubChem CID
89278903
SwissLipids ID
SLM:000487531

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 761.38
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 12.63
Molar Refractivity 201.38

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Created at
28th Apr 2020
Updated at
28th Apr 2020