Structure Database (LMSD)

H H NH OH O OH
Common Name
Cer(d18:0/18:0)
Systematic Name
N-(octadecanoyl)-sphinganine
Synonyms
  • C18DH Cer
  • N-(octadecanoyl)-dihydroceramide
  • N-(stearoyl)-dihydroceramide
  • Cer[NdS]
LM ID
LMSP02020008
Formula
C36H73NO3
Exact Mass
Calculate m/z
567.559044
Sum Composition
Cer 36:0;O2
Abbrev Chains
Cer 18:0;O2/18:0
Status
Active
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Predict MS/MS spectrum ([M-H]-)

Main

Classification

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

String Representations

InChiKey (Click to copy)
KZTJQXAANJHSCE-OIDHKYIRSA-N
InChi (Click to copy)
InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40)/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299
Mus musculus (#10090)
Mammalia (#40674)
Subcellular organelle lipidomics in TLR-4-activated macrophages.,
J Lipid Res, 2010
Pubmed ID: 20574076

Other Databases

HMDB ID
HMDB0011761
CHEBI ID
67033
PubChem CID
5283573
SwissLipids ID
SLM:000000596
Cayman ID
24379

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 666.09
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 11.42
Molar Refractivity 176.40

Reactions

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Reactions graph legend

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Created at
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Updated at
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