Structure Database (LMSD)
Common Name
Cer(m18:0/18:0)
Systematic Name
N-(octadecanoyl)-1-deoxysphinganine
Synonyms
- C18DH 1-deoxyCer
LM ID
LMSP00000018
Formula
Exact Mass
Calculate m/z
551.564129
Sum Composition
Abbrev Chains
Cer 18:0;O/18:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(m18:0/18:0)
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)
SSRXXIJGSYRYGC-OIDHKYIRSA-N
InChi (Click to copy)
InChI=1S/C36H73NO2/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-36(39)37-34(3)35(38)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h34-35,38H,4-33H2,1-3H3,(H,37,39)/t34-,35+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
0
Aromatic Rings
0
Rotatable Bonds
32
Van der Waals Molecular Volume
657.30
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
12.17
Molar Refractivity
174.49
Admin
Created at
-
Updated at
14th Dec 2021