Structure Database (LMSD)

Common Name
Sphingofungin C
Systematic Name
2S-amino-5S-acetoxy-3R,4R,14R-trihydroxyeicos-6E-enoic acid
Synonyms
LM ID
LMSP01080063
Formula
C22H41NO7
Exact Mass
Calculate m/z
431.288304
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)
PBKBHDLANIOIKK-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(30-16(2)24)20(26)21(27)19(23)22(28)29/h12,15,17-21,25-27H,3-11,13-14,23H2,1-2H3,(H,28,29)/b15-12+/t17-,18+,19+,20-,21-/m1/s1
SMILES (Click to copy)
C([C@@H](N)[C@@H](O)[C@H](O)[C@@H](OC(=O)C)/C=C/CCCCCC[C@H](O)CCCCCC)(=O)O

Other Databases

PubChem CID
42608379

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 453.77
Topological Polar Surface Area 150.31
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 3.71
Molar Refractivity 117.35

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Updated at
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