Structure Database (LMSD)
Common Name
Tetraacetylphytosphingosine
Systematic Name
N-((1S,2S,3R)-2,3-bis(acetyloxy)-1-((acetyloxy)methyl)heptadecyl)-acetamide
Synonyms
- Tetraacetyl-4-hydroxysphinganine
- TAPS
LM ID
LMSP01040015
Formula
Exact Mass
Calculate m/z
485.335254
Sum Composition
Status
Active
3D model of Tetraacetylphytosphingosine
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Wickerhamomyces ciferrii
(#1041607)
Saccharomycetes
(#4891)
Formation of extracellular sphingolipides by microorganisms. I. Tetraacetylphyto-sphingosine from Hansenula ciferri.,
J Bacteriol, 1960
J Bacteriol, 1960
Pubmed ID:
13785002
String Representations
InChiKey (Click to copy)
SGTYQWGEVAMVKB-NXCFDTQHSA-N
InChi (Click to copy)
InChI=1S/C26H47NO7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33-22(4)30)26(34-23(5)31)24(27-20(2)28)19-32-21(3)29/h24-26H,6-19H2,1-5H3,(H,27,28)/t24-,25+,26-/m0/s1
SMILES (Click to copy)
O(C(=O)C)C[C@]([H])(NC(=O)C)[C@]([H])(OC(C)=O)[C@@](OC(=O)C)([H])CCCCCCCCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
Aromatic Rings
Rotatable Bonds
23
Van der Waals Molecular Volume
520.33
Topological Polar Surface Area
108.00
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
8
logP
6.15
Molar Refractivity
133.07
Admin
Created at
9th Sep 2024
Updated at
9th Sep 2024