Structure Database (LMSD)

Common Name
SM(d18:1/26:1(17Z))
Systematic Name
N-(17Z-hexacosenoyl)-sphing-4-enine-1-phosphocholine
Synonyms
  • C26:1 Sphingomyelin
LM ID
LMSP03010009
Formula
Exact Mass
Calculate m/z
840.708426
Sum Composition
Abbrev Chains
SM 18:1;O2/26:1
Status
Active

Classification

Reactions

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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
YXEXWUZHFGYOHJ-UOJCCMJYSA-N
InChi (Click to copy)
InChI=1S/C49H97N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h20-21,40,42,47-48,52H,6-19,22-39,41,43-46H2,1-5H3,(H-,50,53,54,55)/b21-20-,42-40+/t47-,48+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC

Other Databases

HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 58
Rings 0
Aromatic Rings 0
Rotatable Bonds 45
Van der Waals Molecular Volume 942.91
Topological Polar Surface Area 107.92
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 14.88
Molar Refractivity 249.45

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Created at
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Updated at
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