Structure Database (LMSD)

Common Name
C14 sphingosine
Systematic Name
tetradecasphing-4E-enine
Synonyms
  • (4E,d14:1) sphingosine
LM ID
LMSP01040006
Formula
Exact Mass
Calculate m/z
243.219829
Sum Composition
Status
Curated


Classification

String Representations

InChiKey (Click to copy)
VDRZDTXJMRRVMF-NXFSIWHZSA-N
InChi (Click to copy)
InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h10-11,13-14,16-17H,2-9,12,15H2,1H3/b11-10+/t13-,14+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CCCCCCCCC)O

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 276.70
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 3.22
Molar Refractivity 74.33

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Updated at
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