Structure Database (LMSD)

Common Name
Fumonisin B4
Systematic Name
Synonyms
LM ID
LMSP01080025
Formula
Exact Mass
Calculate m/z
689.398644
Status
Curated


Classification

Biological Context

Fumonisin B4 (FB4) is a mycotoxin that has been found in F. verticillioides.1 It has also been found in corn and poultry feed.2,3

This information has been provided by Cayman Chemical

References

2. Abbas, H.K., Williams, W.P., Windham, G.L., et al. Aflatoxin and fumonisin contamination of commercial corn (Zea mays) hybrids in Mississippi. J. Agric. Food Chem. 50(18), 5246-5254 (2002).

String Representations

InChiKey (Click to copy)
WYYKRDVIBOEORL-JLCKPESSSA-N
InChi (Click to copy)
InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1
SMILES (Click to copy)
C[C@H](N)[C@@H](O)CCCCCCCC[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

Other Databases

CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 48
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 706.19
Topological Polar Surface Area 248.05
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 13
logP 5.77
Molar Refractivity 176.86

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Created at
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Updated at
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