Structure Database (LMSD)
Common Name
C17 Sphinganine
Systematic Name
heptadecasphinganine
Synonyms
LM ID
LMSP01040003
Formula
Exact Mass
Calculate m/z
287.282429
Sum Composition
Status
Curated
3D model of C17 Sphinganine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Sphinganine (d17:0) is a synthetic bioactive sphingolipid.1 It is active against C. glabrata and C. albicans with a minimum fungicidal concentration (MFC) value of 0.5 µg/ml for both. Sphinganine (d17:0) has commonly been used as an internal standard for the detection of sphingolipids in chromatographic and mass spectrometry applications.2,3
This information has been provided by Cayman Chemical
References
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
Other Databases
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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