Structure Database (LMSD)
Common Name
Cer(d18:0/32:0)
Systematic Name
N-(dotriacontanoyl)-sphinganine
Synonyms
- N-(dotriacontanoyl)-dihydroceramide
- Cer[NDS]
LM ID
LMSP02020058
Formula
Exact Mass
Calculate m/z
763.778144
Sum Composition
Abbrev Chains
Cer 18:0;O2/32:0
Status
Active
3D model of Cer(d18:0/32:0)
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
String Representations
InChiKey (Click to copy)
ROUHJBDAUYRWPV-NXWRKTHKSA-N
InChi (Click to copy)
InChI=1S/C50H101NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-50(54)51-48(47-52)49(53)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h48-49,52-53H,3-47H2,1-2H3,(H,51,54)/t48-,49+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
54
Rings
0
Aromatic Rings
0
Rotatable Bonds
47
Van der Waals Molecular Volume
908.29
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
16.89
Molar Refractivity
241.03
Admin
Created at
27th Apr 2020
Updated at
27th Apr 2020