Structure Database (LMSD)

Common Name
SM(d18:0/15:0)
Systematic Name
N-(pentadecanoyl)-sphinganine-1-phosphocholine
Synonyms
LM ID
LMSP03010091
Formula
Exact Mass
Calculate m/z
690.567576
Sum Composition
Abbrev Chains
SM 18:0;O2/15:0
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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
Pubmed ID: 20671299

String Representations

InChiKey (Click to copy)
MOOVXYQLXUAUJU-PQQNNWGCSA-N
InChi (Click to copy)
InChI=1S/C38H79N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h36-37,41H,6-35H2,1-5H3,(H-,39,42,43,44)/t36-,37+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 0
Aromatic Rings 0
Rotatable Bonds 36
Van der Waals Molecular Volume 757.89
Topological Polar Surface Area 107.92
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 11.04
Molar Refractivity 198.85

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Updated at
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