Structure Database (LMSD)

OH H H N H OH O OH
Common Name
Cer(t18:1(6OH)/20:0)
Systematic Name
N-(eicosanoyl)-6R-hydroxy-sphing-4E-enine
Synonyms
  • N-(eicosanoyl)-hydroxyceramide
  • Cer[NH]
LM ID
LMSP02010144
Formula
C38H75NO4
Exact Mass
Calculate m/z
609.569609
Sum Composition
Cer 38:1;O3
Abbrev Chains
Cer 18:1;O3/20:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
MXHQMRTXMSDTBS-NNRXIFKDSA-N
InChi (Click to copy)
InChI=1S/C38H75NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38(43)39-36(34-40)37(42)33-32-35(41)30-28-26-24-22-14-12-10-8-6-4-2/h32-33,35-37,40-42H,3-31,34H2,1-2H3,(H,39,43)/b33-32+/t35-,36+,37-/m1/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/[C@H](O)CCCCCCCCCCCC

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

Other Databases

PubChem CID
171119561

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 706.84
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 11.24
Molar Refractivity 187.44

Admin

Created at
28th Apr 2020
Updated at
1st May 2020