Structure Database (LMSD)

OH H H NH OH O OH
Common Name
Cer(d18:0/16:0(2OH))
Systematic Name
N-(2-hydroxyhexadecanoyl)-sphinganine
Synonyms
  • Cer[AdS]
LM ID
LMSP02020029
Formula
C34H69NO4
Exact Mass
Calculate m/z
555.522659
Sum Composition
Cer 34:0;O3
Abbrev Chains
Cer 18:0;O2/16:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
NQXMVCBJWMTLGK-XIWRNSNHSA-N
InChi (Click to copy)
InChI=1S/C34H69NO4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-32(37)31(30-36)35-34(39)33(38)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31-33,36-38H,3-30H2,1-2H3,(H,35,39)/t31-,32+,33?/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C(O)CCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Saccharomyces cerevisiae (#4932)
Saccharomycetes (#4891)
Mass spectrometry-based profiling of phospholipids and sphingolipids in extracts from Saccharomyces cerevisiae.,
Yeast, 2006
Pubmed ID: 16652392

Other Databases

CHEBI ID
67043
PubChem CID
9959390
SwissLipids ID
SLM:000000607
Cayman ID
24436

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 640.28
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 9.90
Molar Refractivity 169.06

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

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Created at
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Updated at
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