Structure Database (LMSD)
Common Name
6-hydroxysphingosine
Systematic Name
6-hydroxysphing-4E-enine
Synonyms
LM ID
LMSP01080003
Status
Active
Exact Mass
Calculate m/z
315.277344
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
LUZYTSCABOWJAC-HLJNGVMWSA-N
InChi (Click to copy)
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h13-14,16-18,20-22H,2-12,15,19H2,1H3/b14-13+/t16?,17-,18+/m0/s1
SMILES (Click to copy)
C([C@H](N)[C@H](O)/C=C/C(O)CCCCCCCCCCCC)O
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
0
Aromatic Rings
0
Rotatable Bonds
15
Van der Waals Molecular Volume
354.69
Topological Polar Surface Area
86.71
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
4.04
Molar Refractivity
94.70
Admin
Created at
-
Updated at
13th May 2021