Structure Database (LMSD)

Common Name
Sphingofungin A
Systematic Name
2S-guanidino-3R,4R,5S,14R-tetrahydroxyicos-6E-enoic acid
Synonyms
LM ID
LMSP01080061
Formula
C21H41N3O6
Exact Mass
Calculate m/z
431.299537
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Sphingoid bases [SP01]
Sphingoid base analogs [SP0108]

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
Pubmed ID: 1500351

String Representations

InChiKey (Click to copy)
FFZVMOYYSHXZHW-MXSQXUFFSA-N
InChi (Click to copy)
InChI=1S/C21H41N3O6/c1-2-3-4-9-12-15(25)13-10-7-5-6-8-11-14-16(26)18(27)19(28)17(20(29)30)24-21(22)23/h11,14-19,25-28H,2-10,12-13H2,1H3,(H,29,30)(H4,22,23,24)/b14-11+/t15-,16+,17+,18-,19-/m1/s1
SMILES (Click to copy)
C([C@@H](NC(N)=N)[C@@H](O)[C@H](O)[C@@H](O)/C=C/CCCCCC[C@H](O)CCCCCC)(=O)O

Other Databases

CHEBI ID
187204
PubChem CID
42608378

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 449.68
Topological Polar Surface Area 180.12
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 6
logP 2.67
Molar Refractivity 118.66

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