Structure Database (LMSD)

Common Name
Cer(d18:0/34:0(34OH))
Systematic Name
N-(34-hydroxy-tetratriacontanoyl)-sphinganine
Synonyms
  • N-(34-hydroxy-tetratriacontanoyl)-dihydroceramide
  • N-(omega-hydroxy-tetratriacontanoyl)-dihydroceramide
  • Cer[ODS]
LM ID
LMSP02020047
Status
Active
Exact Mass
Calculate m/z
807.804359
Formula
C52H105NO4
Abbrev
Cer 52:0;O3
Abbrev Chains
Cer 18:0;O2/34:0;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Ceramides [SP02]
N-acylsphinganines (dihydroceramides) [SP0202]

String Representations

InChiKey (Click to copy)
SJONKIQMYYLYON-OKPYTHRESA-N
InChi (Click to copy)
InChI=1S/C52H105NO4/c1-2-3-4-5-6-7-8-28-31-34-37-40-43-46-51(56)50(49-55)53-52(57)47-44-41-38-35-32-29-26-24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-25-27-30-33-36-39-42-45-48-54/h50-51,54-56H,2-49H2,1H3,(H,53,57)/t50-,51+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

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

Calculated Physicochemical Properties

Heavy Atoms 57
Rings 0
Aromatic Rings 0
Rotatable Bonds 50
Van der Waals Molecular Volume 951.68
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 16.92
Molar Refractivity 252.17

Reactions

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Reactions graph legend

Admin

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