Structure Database (LMSD)

Common Name
Cer(d18:0/26:1(17Z))
Systematic Name
N-(17Z-hexacosenoyl)-sphinganine
Synonyms
  • C26:1DH Cer
  • N-(17Z-hexacosenoyl)-dihydroceramide
  • N-(17Z-hexacosenoyl)-dihydroceramide
  • Cer[NdS]
LM ID
LMSP02020013
Formula
C44H87NO3
Exact Mass
Calculate m/z
677.668594
Sum Composition
Cer 44:1;O2
Abbrev Chains
Cer 18:0;O2/26:1
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-acylsphinganines (dihydroceramides) [SP0202]

Reactions

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Reactions graph legend

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

String Representations

InChiKey (Click to copy)
CTSPXOBSUIWAAB-SNMLQRCYSA-N
InChi (Click to copy)
InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h17-18,42-43,46-47H,3-16,19-41H2,1-2H3,(H,45,48)/b18-17-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0011772
CHEBI ID
74132
PubChem CID
5283578
SwissLipids ID
SLM:000000611

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 801.85
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 14.32
Molar Refractivity 213.24

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Updated at
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