Structure Database (LMSD)

Common Name
Cer(t18:0/30:0)
Systematic Name
N-(triacontanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(triacontanoyl)-phytoceramide
  • Cer[NP]
LM ID
LMSP02030061
Formula
C48H97NO4
Exact Mass
Calculate m/z
751.741759
Sum Composition
Cer 48:0;O3
Abbrev Chains
Cer 18:0;O3/30:0
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)
HGRBEAWIMWHTJQ-QSYYFJFSSA-N
InChi (Click to copy)
InChI=1S/C48H97NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-47(52)49-45(44-50)48(53)46(51)42-40-38-36-34-32-16-14-12-10-8-6-4-2/h45-46,48,50-51,53H,3-44H2,1-2H3,(H,49,52)/t45-,46+,48-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)[C@H](O)CCCCCCCCCCCCCC

Other Databases

CHEBI ID
72028
PubChem CID
70789068
SwissLipids ID
SLM:000395650

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 0
Aromatic Rings 0
Rotatable Bonds 45
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

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