Structure Database (LMSD)
Common Name
Cer(d18:0/27:0)
Systematic Name
N-(heptacosanoyl)-sphinganine
Synonyms
- N-(heptacosanoyl)-dihydroceramide
- Cer[NDS]
LM ID
LMSP02020050
Formula
Exact Mass
Calculate m/z
693.699894
Sum Composition
Abbrev Chains
Cer 18:0;O2/27:0
Status
Active
3D model of Cer(d18:0/27:0)
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
Filter by species:
ⓘ
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.
Click on an edge to display the reaction(s).
References
String Representations
InChiKey (Click to copy)
SYMNDSCZDCKGKJ-JCGOJSMZSA-N
InChi (Click to copy)
InChI=1S/C45H91NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-45(49)46-43(42-47)44(48)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2/h43-44,47-48H,3-42H2,1-2H3,(H,46,49)/t43-,44+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
0
Aromatic Rings
0
Rotatable Bonds
42
Van der Waals Molecular Volume
821.79
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
14.94
Molar Refractivity
217.95
Admin
Created at
27th Apr 2020
Updated at
27th Apr 2020