Structure Database (LMSD)

Common Name
Sphingofungin D
Systematic Name
2S-acetamido-3R,4R,5S,14R-tetrahydroxyeicos-6E-enoic acid
Synonyms
LM ID
LMSP01080064
Formula
C22H41NO7
Exact Mass
Calculate m/z
431.288304
Status
Curated
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)
VKFZVQCKAPPEFZ-RXCFHPIVSA-N
InChi (Click to copy)
InChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)20(27)21(28)19(22(29)30)23-16(2)24/h12,15,17-21,25-28H,3-11,13-14H2,1-2H3,(H,23,24)(H,29,30)/b15-12+/t17-,18+,19+,20-,21-/m1/s1
SMILES (Click to copy)
C([C@@H](NC(=O)C)[C@@H](O)[C@H](O)[C@@H](O)/C=C/CCCCCC[C@H](O)CCCCCC)(=O)O

Other Databases

CHEBI ID
187239
PubChem CID
42608380

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 453.77
Topological Polar Surface Area 147.32
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 7
logP 3.32
Molar Refractivity 117.43

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