Structure Database (LMSD)

Common Name
C17 Sphinganine
Systematic Name
heptadecasphinganine
Synonyms
LM ID
LMSP01040003
Status
Active
Exact Mass
Calculate m/z
287.282429
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)
KFQUQCFJDMSIJF-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)16(18)15-19/h16-17,19-20H,2-15,18H2,1H3/t16-,17+/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCCC

References

Other Databases

CHEBI ID
PubChem CID
Cayman ID
Avanti ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 331.24
Topological Polar Surface Area 66.48
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 2
logP 4.62
Molar Refractivity 88.28

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Created at
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Updated at
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