Structure Database (LMSD)

Common Name
Cer(d18:2/15:0)
Systematic Name
N-(pentadecanoyl)-4E,14Z-sphingadienine
Synonyms
  • Cer[NS]
LM ID
LMSP02010023
Formula
C33H63NO3
Exact Mass
Calculate m/z
521.480794
Sum Composition
Cer 33:2;O2
Abbrev Chains
Cer 18:2;O2/15:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
Predict MS/MS spectrum ([M-H]-)

Classification

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

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

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

String Representations

InChiKey (Click to copy)
WVUMVKXTENDFEA-RLCAHUBLSA-N
InChi (Click to copy)
InChI=1S/C33H63NO3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32(36)31(30-35)34-33(37)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h7,9,26,28,31-32,35-36H,3-6,8,10-25,27,29-30H2,1-2H3,(H,34,37)/b9-7-,28-26+/t31-,32+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCC/C=C\CCC

Other Databases

PubChem CID
52931117

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 608.91
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 9.81
Molar Refractivity 162.36

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Updated at
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