Structure Database (LMSD)
Common Name
Fumonisin B4
Systematic Name
Synonyms
3D model of Fumonisin B4
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
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
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
Admin
Created at
-
Updated at
-