Structure Database (LMSD)
Common Name
Cer(d18:0/h24:0)
Systematic Name
N-(24-hydroxytetracosanoyl)-sphinganine
Synonyms
- N-(24-hydroxytetracosanyl)-dihydrosphingosine
- ceramide-2' (sphinganine:N-C24:0OH)
- ceramide-2' (sphinganine:NC24:omegaOH)
- Cer[OdS]
LM ID
LMSP02020017
Formula
Exact Mass
Calculate m/z
667.647859
Sum Composition
Abbrev Chains
Cer 18:0;O2/h24:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(d18:0/h24:0)
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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String Representations
InChiKey (Click to copy)
ZQGNZSWBCQGWAO-WVILEFPPSA-N
InChi (Click to copy)
InChI=1S/C42H85NO4/c1-2-3-4-5-6-7-8-18-21-24-27-30-33-36-41(46)40(39-45)43-42(47)37-34-31-28-25-22-19-16-14-12-10-9-11-13-15-17-20-23-26-29-32-35-38-44/h40-41,44-46H,2-39H2,1H3,(H,43,47)/t40-,41+/m0/s1
SMILES (Click to copy)
C(CCCC)CCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCO)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
0
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
778.68
Topological Polar Surface Area
89.79
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
13.02
Molar Refractivity
206.00
Admin
Created at
-
Updated at
14th Oct 2024