Structure Database (LMSD)

Common Name
Cer(m18:0/18:0)
Systematic Name
N-(octadecanoyl)-1-deoxysphinganine
Synonyms
  • C18DH 1-deoxyCer
LM ID
LMSP00000018
Status
Active
Exact Mass
Calculate m/z
551.564129
Formula
Abbrev
Abbrev Chains
Cer 18:0;O/18:0


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)
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

References

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 2
logP 12.17
Molar Refractivity 174.49

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Updated at
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