Structure Database (LMSD)

Common Name
anteiso (4E,14-methyl-d16:1) sphingosine
Systematic Name
14-methyl-hexadecasphing-4E-enine
Synonyms
  • 14-methyl-hexadecasphingosine
LM ID
LMSP01080006
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)
NJVGCHGRFMZTKV-KLVHAFEJSA-N
InChi (Click to copy)
InChI=1S/C17H35NO2/c1-3-15(2)12-10-8-6-4-5-7-9-11-13-17(20)16(18)14-19/h11,13,15-17,19-20H,3-10,12,14,18H2,1-2H3/b13-11+/t15?,16-,17+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/CCCCCCCCC(C)CC)O

References

Other Databases

CHEBI ID
PubChem CID

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 2
logP 4.25
Molar Refractivity 88.11

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Created at
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Updated at
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