Structure Database (LMSD)
Common Name
Cer(d18:1/26:0)
Systematic Name
N-(hexacosanoyl)-sphing-4-enine
Synonyms
- C26 Cer
- N-(hexacosanoyl)-ceramide
- N-(hexacosanoyl)-ceramide
- Cer[NS]
LM ID
LMSP02010011
Formula
Exact Mass
Calculate m/z
677.668594
Sum Composition
Abbrev Chains
Cer 18:1;O2/26:0
Status
Active
3D model of Cer(d18:1/26:0)
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
Mus musculus
(#10090)
Mammalia
(#40674)
Subcellular organelle lipidomics in TLR-4-activated macrophages.,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20574076
DOI:
10.1194/jlr.M008748
String Representations
InChiKey (Click to copy)
CJROVRTUSFQVMR-GVOPMEMSSA-N
InChi (Click to copy)
InChI=1S/C44H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,42-43,46-47H,3-36,38,40-41H2,1-2H3,(H,45,48)/b39-37+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
0
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
801.85
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
14.32
Molar Refractivity
213.24
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Updated at
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