Structure Database (LMSD)

Common Name
Cer(d18:1/16:0)
Systematic Name
N-(hexadecanoyl)-sphing-4-enine
Synonyms
  • C16 Cer
  • N-(hexadecanoyl)-ceramide
  • N-(palmitoyl)-ceramide
  • N-palmitoyl-sphingosine
  • Cer[NS]
LM ID
LMSP02010004
Formula
C34H67NO3
Exact Mass
Calculate m/z
537.512094
Sum Composition
Cer 34:1;O2
Abbrev Chains
Cer 18:1;O2/16:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
Predict MS/MS spectrum ([M-H]-)

Classification

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

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)
YDNKGFDKKRUKPY-TURZORIXSA-N
InChi (Click to copy)
InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0004949
CHEBI ID
72959
PubChem CID
5283564
SwissLipids ID
SLM:000000554
Cayman ID
10681
PDB ID
16C

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 30
Van der Waals Molecular Volume 628.85
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 10.42
Molar Refractivity 167.07

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Updated at
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