Structure Database (LMSD)

O OH HO OH NH OH
Common Name
Cer(t18:0/32:0(32OH))
Systematic Name
N-(32-hydroxy-dotriacontanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(32-hydroxy-dotriacontanoyl)-phytoceramide
  • N-(omega-hydroxy-dotriacontanoyl)-phytoceramide
  • Cer[OP]
LM ID
LMSP02030044
Formula
C50H101NO5
Exact Mass
Calculate m/z
795.767974
Sum Composition
Cer 50:0;O4
Abbrev Chains
Cer 18:0;O3/32:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acyl-4-hydroxysphinganines (phytoceramides) [SP0203]

String Representations

InChiKey (Click to copy)
HWPSYVBOMCYYHS-ITVUJDHZSA-N
InChi (Click to copy)
InChI=1S/C50H101NO5/c1-2-3-4-5-6-7-8-28-31-34-37-40-43-48(54)50(56)47(46-53)51-49(55)44-41-38-35-32-29-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-30-33-36-39-42-45-52/h47-48,50,52-54,56H,2-46H2,1H3,(H,51,55)/t47-,48+,50-/m0/s1
SMILES (Click to copy)
C(CCCC)CCCCCCCCC[C@@H](O)[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O

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

Other Databases

PubChem CID
171119540

Calculated Physicochemical Properties

Heavy Atoms 56
Rings 0
Aromatic Rings 0
Rotatable Bonds 48
Van der Waals Molecular Volume 925.87
Topological Polar Surface Area 110.02
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 15.40
Molar Refractivity 244.84

Admin

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