Structure Database (LMSD)

Common Name
Fumonisin B1
Systematic Name
Synonyms
LM ID
LMSP01080022
Status
Active
Exact Mass
Calculate m/z
721.388474
Formula



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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)
UVBUBMSSQKOIBE-DSLOAKGESA-N
InChi (Click to copy)
InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
SMILES (Click to copy)
C[C@H](N)[C@@H](O)C[C@H](O)CCCC[C@@H](O)C[C@H](C)C[C@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@H](C)CCCC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Fusarium verticillioides (#117187)
Sordariomycetes (#147550)
Fumonisins: isolation, chemical characterization and biological effects.,
Mycopathologia, 1992
Pubmed ID: 1513367

Other Databases

Wikipedia
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 50
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 723.77
Topological Polar Surface Area 288.51
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 15
logP 4.28
Molar Refractivity 180.66

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Updated at
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