Structure Database (LMSD)

Common Name
Cer(d18:0/13:0)
Systematic Name
N-(tridecanoyl)-sphinganine
Synonyms
  • Cer[NdS]
LM ID
LMSP02020020
Formula
C31H63NO3
Exact Mass
Calculate m/z
497.480794
Sum Composition
Cer 31:0;O2
Abbrev Chains
Cer 18:0;O2/13:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
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)
BORMXTJNNOUFST-XZWHSSHBSA-N
InChi (Click to copy)
InChI=1S/C31H63NO3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(34)29(28-33)32-31(35)27-25-23-21-19-14-12-10-8-6-4-2/h29-30,33-34H,3-28H2,1-2H3,(H,32,35)/t29-,30+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases

CHEBI ID
192188
PubChem CID
52931113
SwissLipids ID
SLM:000395577

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 579.59
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 9.47
Molar Refractivity 153.31

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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