Structure Database (LMSD)
Common Name
Cer(d18:2/20:1)
Systematic Name
N-(11Z-eicosenoyl)-4E,14Z-sphingadienine
Synonyms
- Cer[NS]
LM ID
LMSP02010027
Formula
Exact Mass
Calculate m/z
589.543394
Sum Composition
Abbrev Chains
Cer 18:2;O2/20:1
Status
Active
3D model of Cer(d18:2/20:1)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RLLNNOMUVQRCCC-VNILHHJLSA-N
InChi (Click to copy)
InChI=1S/C38H71NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h8,10,17-18,31,33,36-37,40-41H,3-7,9,11-16,19-30,32,34-35H2,1-2H3,(H,39,42)/b10-8-,18-17-,33-31+/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCC/C=C\CCCCCCCC)=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
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
42
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
692.77
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
11.53
Molar Refractivity
185.35
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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Created at
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Updated at
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