Structure Database (LMSD)
Common Name
Cer(m18:0/16:0)
Systematic Name
N-(hexadecanoyl)-1-deoxysphinganine
Synonyms
- C16DH 1-deoxyCer
LM ID
LMSP00000019
Formula
Exact Mass
Calculate m/z
523.532829
Sum Composition
Abbrev Chains
Cer 18:0;O/16:0
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of Cer(m18:0/16:0)
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)
XDORUNOFOLESEM-JHOUSYSJSA-N
InChi (Click to copy)
InChI=1S/C34H69NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(36)32(3)35-34(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32-33,36H,4-31H2,1-3H3,(H,35,37)/t32-,33+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
0
Aromatic Rings
0
Rotatable Bonds
30
Van der Waals Molecular Volume
622.70
Topological Polar Surface Area
49.33
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
11.39
Molar Refractivity
165.26
Admin
Created at
-
Updated at
14th Dec 2021