Structure Database (LMSD)

OH H NH OH O H
Common Name
Cer(d18:0/14:0)
Systematic Name
N-(tetradecanoyl)-sphinganine
Synonyms
  • C14DH Cer
  • N-(tetradecanoyl)-dihydroceramide
  • N-(myristoyl)-dihydroceramide
  • Cer[NdS]
LM ID
LMSP02020016
Formula
C32H65NO3
Exact Mass
Calculate m/z
511.496444
Sum Composition
Cer 32:0;O2
Abbrev Chains
Cer 18:0;O2/14:0
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)
UDTSZXVRDXQARY-IOWSJCHKSA-N
InChi (Click to copy)
InChI=1S/C32H65NO3/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(35)30(29-34)33-32(36)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,33,36)/t30-,31+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCC)=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

Other Databases

HMDB ID
HMDB0011759
CHEBI ID
67045
PubChem CID
10255824
SwissLipids ID
SLM:000000598

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 596.89
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 9.86
Molar Refractivity 157.93

Reactions

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Reactions graph legend

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Created at
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Updated at
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