Structure Database (LMSD)

Common Name
SM(d18:0/14:0)
Systematic Name
N-(tetradecanoyl)-sphinganine-1-phosphocholine
Synonyms
  • C14DH Sphingomyelin
LM ID
LMSP03010030
Formula
C37H77N2O6P
Exact Mass
Calculate m/z
676.551926
Sum Composition
SM 32:0;O2
Abbrev Chains
SM 18:0;O2/14:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphocholines (sphingomyelins) [SP0301]

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)
MJAFYELZQYPMQG-MPQUPPDSSA-N
InChi (Click to copy)
InChI=1S/C37H77N2O6P/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-30-36(40)35(34-45-46(42,43)44-33-32-39(3,4)5)38-37(41)31-29-27-25-23-20-17-15-13-11-9-7-2/h35-36,40H,6-34H2,1-5H3,(H-,38,41,42,43)/t35-,36+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0012085
CHEBI ID
89482
PubChem CID
44260138
SwissLipids ID
SLM:000395874

Calculated Physicochemical Properties

Heavy Atoms 46
Rings 0
Aromatic Rings 0
Rotatable Bonds 35
Van der Waals Molecular Volume 740.59
Topological Polar Surface Area 107.92
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 10.65
Molar Refractivity 194.23

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Updated at
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