Structure Database (LMSD)

Common Name
(4E,8E,d18:2) sphingosine
Systematic Name
sphinga-4E,8E-dienine
Synonyms
  • sphinga-4E,8E-diene
  • sphingadiene
LM ID
LMSP01080010
Formula
C18H35NO2
Exact Mass
Calculate m/z
297.266779
Sum Composition
SPB 18:2;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Magallana gigas (#29159)
Bivalvia (#6544)
Determination of the structure of sphinga-4,8-dienine from oyster glycolipids by gas chromatography and mass spectrometry.,
Biochim Biophys Acta, 1971
Pubmed ID: 4331787

String Representations

InChiKey (Click to copy)
RTQVJTLVVBJRJG-SEXYCKHXSA-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/h10-11,14-15,17-18,20-21H,2-9,12-13,16,19H2,1H3/b11-10+,15-14+/t17-,18+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CC/C=C/CCCCCCCCC)O

Other Databases

CHEBI ID
72800
PubChem CID
11220228

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 3
logP 4.56
Molar Refractivity 92.71

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Updated at
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