Structure Database (LMSD)

Common Name
t17:0 phytosphingosine
Systematic Name
4R-hydroxy-heptadeasphinganine
Synonyms
  • 2S-Aminoheptadecane-1,3S,4R-triol
LM ID
LMSP01030004
Status
Active
Exact Mass
Calculate m/z
303.277344
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)
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
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

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Created at
14th Oct 2021
Updated at
14th Oct 2021