Structure Database (LMSD)

Common Name
4E,14Z-Sphingadiene
Systematic Name
sphinga-4E,14Z-dienine
Synonyms
LM ID
LMSP01080002
Formula
C18H35NO2
Exact Mass
Calculate m/z
297.266779
Sum Composition
SPB 18:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

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

Other Databases

CHEBI ID
73889
PubChem CID
42608343
SwissLipids ID
SLM:000782223

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

Admin

Created at
-
Updated at
11th May 2021