Structure Database (LMSD)

H NH OH O OH H
Common Name
Cer(d18:1/24:0)
Systematic Name
N-(tetracosanoyl)-sphing-4-enine
Synonyms
  • C24 Cer
  • N-(tetracosanoyl)-ceramide
  • N-(tetracosanoyl)-ceramide
  • N-lignoceroyl-sphingosine
  • Cer[NS]
LM ID
LMSP02010012
Formula
C42H83NO3
Exact Mass
Calculate m/z
649.637294
Sum Composition
Cer 42:1;O2
Abbrev Chains
Cer 18:1;O2/24:0
Status
Active
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Predict MS/MS spectrum ([M-H]-)

Main

Classification

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

String Representations

InChiKey (Click to copy)
ZJVVOYPTFQEGPH-AUTSUKAISA-N
InChi (Click to copy)
InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

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
HMDB0004956
CHEBI ID
72965
PubChem CID
5283571
SwissLipids ID
SLM:000000634

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 767.25
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 13.54
Molar Refractivity 204.00

Reactions

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Reactions graph legend

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Created at
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Updated at
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