Structure Database (LMSD)

Common Name
4E,14Z-Sphingadiene
Systematic Name
sphinga-4E,14Z-dienine
Synonyms
LM ID
LMSP01080002
Status
Active
Exact Mass
Calculate m/z
297.266779
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)
KWDXKYNWAKMLKK-YQDZIVAPSA-N
InChi (Click to copy)
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h4-5,14-15,17-18,20-21H,2-3,6-13,16,19H2,1H3/b5-4-,15-14+/t17-,18+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CCCCCCCC/C=C\CCC)O

References

Comments
Example of a locked record

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Structure of plasma sphingadienine.,
J Lipid Res, 1969
Pubmed ID: 5356753

Other Databases

CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 343.26
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.56
Molar Refractivity 92.71

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Updated at
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