Structure Database (LMSD)

OH H NH OH O H
Common Name
Cer(d18:0/16:0)
Systematic Name
N-(hexadecanoyl)-sphinganine
Synonyms
  • C16DH Cer
  • N-(hexadecanoyl)-dihydroceramide
  • N-(palmitoyl)-dihydroceramide
  • Cer[NdS]
LM ID
LMSP02020001
Formula
C34H69NO3
Exact Mass
Calculate m/z
539.527744
Sum Composition
Cer 34:0;O2
Abbrev Chains
Cer 18:0;O2/16:0
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)
GCGTXOVNNFGTPQ-JHOUSYSJSA-N
InChi (Click to copy)
InChI=1S/C34H69NO3/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/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=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
HMDB0011760
CHEBI ID
67042
PubChem CID
5283572
SwissLipids ID
SLM:000000562
Cayman ID
24369

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 631.49
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 10.64
Molar Refractivity 167.16

Reactions

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Reactions graph legend

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Updated at
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