Structure Database (LMSD)

Common Name
iso (4E,15-methyl-d16:1) sphingosine
Systematic Name
15-methyl-hexadecasphing-4E-enine
Synonyms
  • 15-methyl-hexadecasphingosine
LM ID
LMSP01080005
Status
Active
Exact Mass
Calculate m/z
285.266779
Formula
Abbrev


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)
LZKPPSAEINBHRP-KORIGIIASA-N
InChi (Click to copy)
InChI=1S/C17H35NO2/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(20)16(18)14-19/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t16-,17+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CCCCCCCCCC(C)C)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Caenorhabditis elegans (#6239)
Chromadorea (#119089)
The glycosylceramides of the nematode Caenorhabditis elegans contain an unusual, branched-chain sphingoid base.,
Lipids, 1995
Pubmed ID: 7651085

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 328.60
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 4.25
Molar Refractivity 88.11

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Updated at
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