Structure Database (LMSD)

OH H NH OH O H
Common Name
Cer(d18:2/16:0)
Systematic Name
N-(hexadecanoyl)-4E,14Z-sphingadienine
Synonyms
  • Cer[NS]
LM ID
LMSP02010024
Formula
C34H65NO3
Exact Mass
Calculate m/z
535.496444
Sum Composition
Cer 34:2;O2
Abbrev Chains
Cer 18:2;O2/16:0
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-acylsphingosines (ceramides) [SP0201]

String Representations

InChiKey (Click to copy)
XXWRZIYYFPIQHE-XPAOSYCESA-N
InChi (Click to copy)
InChI=1S/C34H65NO3/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/h7,9,27,29,32-33,36-37H,3-6,8,10-26,28,30-31H2,1-2H3,(H,35,38)/b9-7-,29-27+/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC

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

CHEBI ID
149633
PubChem CID
52931118

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 626.21
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 10.20
Molar Refractivity 166.97

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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