Structure Database (LMSD)

Common Name
Cer(m18:0/22:0)
Systematic Name
N-(docosanoyl)-1-deoxysphinganine
Synonyms
  • C22DH 1-deoxyCer
LM ID
LMSP00000016
Status
Active
Exact Mass
Calculate m/z
607.626729
Formula
Abbrev
Abbrev Chains
Cer 18:0;O/22:0


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ILZRBDCCCUQGLC-ZESVVUHVSA-N
InChi (Click to copy)
InChI=1S/C40H81NO2/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-37-40(43)41-38(3)39(42)36-34-32-30-28-26-24-17-15-13-11-9-7-5-2/h38-39,42H,4-37H2,1-3H3,(H,41,43)/t38-,39+/m0/s1
SMILES (Click to copy)
[C@](C)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases

PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 726.50
Topological Polar Surface Area 49.33
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 13.73
Molar Refractivity 192.96

Admin

Created at
-
Updated at
-