Structure Database (LMSD)

Common Name
Sphingofungin H
Systematic Name
Synonyms
LM ID
LMSP01080085
Status
Active
Exact Mass
Calculate m/z
413.277739
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FCOAYFGFCGZHMQ-RTVCXEMNSA-N
InChi (Click to copy)
InChI=1S/C22H39NO6/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21-20(27)19(22(28)29-21)23-16(2)24/h12,15,17-21,25-27H,3-11,13-14H2,1-2H3,(H,23,24)/b15-12+/t17?,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
[C@H]1([C@H](NC(C)=O)C(=O)O[C@@H]1[C@H](O)/C=C/CCCCCCC(O)CCCCCC)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aspergillus penicillioides (#41959)
Eurotiomycetes (#147545)
Sphingofungins G and H: new five-membered lactones from Aspergillus penicilliodes Speg.,
Nat Prod Res, 2019
Pubmed ID: 29745730

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 432.62
Topological Polar Surface Area 118.16
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.80
Molar Refractivity 113.67

Admin

Created at
16th Jun 2022
Updated at
16th Jun 2022