Structure Database (LMSD)
Common Name
Cer(m18:0/26:0)
Systematic Name
N-(hexacosanoyl)-1-deoxysphinganine
Synonyms
- C26DH 1-deoxyCer
LM ID
LMSP00000014
Formula
Exact Mass
Calculate m/z
663.689329
Sum Composition
Abbrev Chains
Cer 18:0;O/26:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(m18:0/26:0)
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
SMVNPQJTRBENCZ-WZYYJWNZSA-N
InChi (Click to copy)
InChI=1S/C44H89NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-44(47)45-42(3)43(46)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2/h42-43,46H,4-41H2,1-3H3,(H,45,47)/t42-,43+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
0
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
795.70
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
15.29
Molar Refractivity
211.43
Admin
Created at
-
Updated at
14th Dec 2021