Structure Database (LMSD)
Common Name
Cer(d18:1(4E)/26:0(3OH))
Systematic Name
N-(3R-hydroxy-hexacosanoyl)-sphing-4-enine
Synonyms
- N-(3R-hydroxy-hexacosanoyl)-sphingosine
- N-(3R-hydroxy-cerotoyl)-ceramide
- Cer[BS]
LM ID
LMSP02010205
Formula
Exact Mass
Calculate m/z
693.663509
Sum Composition
Abbrev Chains
Cer 18:1;O2/26:0;O
Status
Active
3D model of Cer(d18:1(4E)/26:0(3OH))
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
String Representations
InChiKey (Click to copy)
IEKCUFMFBCEFFN-JJTOJGNESA-N
InChi (Click to copy)
InChI=1S/C44H87NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-41(47)39-44(49)45-42(40-46)43(48)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h36,38,41-43,46-48H,3-35,37,39-40H2,1-2H3,(H,45,49)/b38-36+/t41-,42+,43-/m1/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(C[C@H](O)CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
0
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
810.64
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
13.58
Molar Refractivity
215.14
Admin
Created at
8th Jun 2020
Updated at
8th Jun 2020