Structure Database (LMSD)

Common Name
Cer(d18:0/17:0)
Systematic Name
N-(heptadecanoyl)-sphinganine
Synonyms
  • Cer[NdS]
LM ID
LMSP02020022
Status
Active
Exact Mass
Calculate m/z
553.543394
Formula
Abbrev
Abbrev Chains
Cer 18:0;O2/17:0




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)
QZDZZVCCCYWHDN-SZAHLOSFSA-N
InChi (Click to copy)
InChI=1S/C35H71NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32H2,1-2H3,(H,36,39)/t33-,34+/m0/s1
SMILES (Click to copy)
[C@](CO)([H])(NC(CCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

References

Other Databases

PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 648.79
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 11.03
Molar Refractivity 171.78

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Created at
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Updated at
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