Structure Database (LMSD)

Common Name
C17 Sphinganine
Systematic Name
heptadecasphinganine
Synonyms
LM ID
LMSP01040003
Status
Active
Exact Mass
Calculate m/z
287.282429
Formula
C17H37NO2
Abbrev
SPB 17:0;O2
Show lipids differing only in stereochemistry/bond geometry
View lipid standard
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base homologs and variants [SP0104]

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
137124
PubChem CID
3247037
Cayman ID
22510
Avanti ID
LM2001

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

Admin

Created at
-
Updated at
-