Structure Database (LMSD)
Common Name
Sphingofungin B
Systematic Name
2S-amino-3R,4R,5S,14R-tetrahydroxyeicos-6E-enoic acid
Synonyms
3D model of Sphingofungin B
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)
UAPFYKYEEDCCTL-MXSQXUFFSA-N
InChi (Click to copy)
InChI=1S/C20H39NO6/c1-2-3-4-9-12-15(22)13-10-7-5-6-8-11-14-16(23)18(24)19(25)17(21)20(26)27/h11,14-19,22-25H,2-10,12-13,21H2,1H3,(H,26,27)/b14-11+/t15-,16+,17+,18-,19-/m1/s1
SMILES (Click to copy)
C([C@@H](N)[C@@H](O)[C@H](O)[C@@H](O)/C=C/CCCCCC[C@H](O)CCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Aspergillus fumigatus
(#746128)
Eurotiomycetes
(#147545)
Sphingofungins A, B, C, and D; a new family of antifungal agents. I. Fermentation, isolation, and biological activity.,
J Antibiot (Tokyo), 1992
J Antibiot (Tokyo), 1992
Pubmed ID:
1500351
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
413.02
Topological Polar Surface Area
144.24
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
6
logP
3.14
Molar Refractivity
107.80
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Updated at
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