Structure Database (LMSD)
Common Name
Cer(d18:1/22:1(13Z))-d7
Systematic Name
N-(13Z-docosenoyl)-sphing-4-enine-16,16,17,17,18,18,18-d7
Synonyms
- N-erucoyl-D-erythro-sphingosine (d7)
3D model of Cer(d18:1/22:1(13Z))-d7
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Synthetic deuterated standard
String Representations
InChiKey (Click to copy)
YHMJTZZWEXBHQK-JYLWQIILSA-N
InChi (Click to copy)
InChI=1S/C40H77NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h17-18,33,35,38-39,42-43H,3-16,19-32,34,36-37H2,1-2H3,(H,41,44)/b18-17-,35-33+/t38-,39+/m0/s1/i2D3,4D2,6D2
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
Aromatic Rings
Rotatable Bonds
35
Van der Waals Molecular Volume
730.01
Topological Polar Surface Area
69.56
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
12.54
Molar Refractivity
194.68
Admin
Created at
25th Mar 2025
Updated at
25th Mar 2025