Structure Database (LMSD)
Common Name
Cer(d18:2/15:0)
Systematic Name
N-(pentadecanoyl)-4E,14Z-sphingadienine
Synonyms
- Cer[NS]
LM ID
LMSP02010023
Formula
Exact Mass
Calculate m/z
521.480794
Sum Composition
Abbrev Chains
Cer 18:2;O2/15:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(d18:2/15:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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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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
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
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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