Structure Database (LMSD)
Common Name
t17:0 phytosphingosine
Systematic Name
4R-hydroxy-heptadeasphinganine
Synonyms
- 2S-Aminoheptadecane-1,3S,4R-triol
LM ID
LMSP01030004
Formula
Exact Mass
Calculate m/z
303.277344
Sum Composition
Status
Active
3D model of t17:0 phytosphingosine
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
NKOLYWXODIHTSI-BBWFWOEESA-N
InChi (Click to copy)
InChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)17(21)15(18)14-19/h15-17,19-21H,2-14,18H2,1H3/t15-,16+,17-/m0/s1
SMILES (Click to copy)
OC[C@]([H])(N)[C@]([H])(O)[C@@](O)([H])CCCCCCCCCCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Emiliania huxleyi virus sp.
(#181208)
Megaviricetes
(#2732523)
Viral serine palmitoyltransferase induces metabolic switch in sphingolipid biosynthesis and is required for infection of a marine alga.,
Proc Natl Acad Sci U S A, 2016
Proc Natl Acad Sci U S A, 2016
Pubmed ID:
26984500
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
340.03
Topological Polar Surface Area
86.71
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
4
logP
3.87
Molar Refractivity
90.18
Admin
Created at
14th Oct 2021
Updated at
14th Oct 2021