Structure Database (LMSD)

Common Name
Cer(t18:0/26:0)
Systematic Name
N-(hexacosanoyl)-4R-hydroxysphinganine
Synonyms
  • N-(hexacosanoyl)-phytoceramide
  • N-(hexacosanoyl)-phytoceramide
  • Cer[NP]
LM ID
LMSP02030005
Status
Active
Exact Mass
Calculate m/z
695.679159
Formula
Abbrev
Abbrev Chains
Cer 18:0;O3/26:0




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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)
GKRXVCWVXYHWOD-KZRDWULCSA-N
InChi (Click to copy)
InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1
SMILES (Click to copy)
C(CCCC)CCCCCCCCC[C@@H](O)[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O

References

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 49
Rings 0
Aromatic Rings 0
Rotatable Bonds 41
Van der Waals Molecular Volume 813.28
Topological Polar Surface Area 89.79
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
logP 13.80
Molar Refractivity 215.23

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Created at
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Updated at
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