116355-83-0
Product Name:
FUMONISIN B1
Formula:
C34H59NO15
Synonyms:
FB1;Fumonisin B1 from Fusarium moniliforme;Macrofusin;Macrofusine;FB?
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White hygroscopic solid; [HSDB] Light brownish-yellow solid; [MSDSonline] |
|---|---|
| Color/Form | Powder |
| Solubility | Soluble in methanol |
| Collision Cross Section | 258 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine] |
| Other Experimental Properties | Very hygroscopic |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H351:Carcinogenicity H373:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. |
COMPUTED DESCRIPTORS
| Molecular Weight | 721.8 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 31 |
| Exact Mass | 721.38847018 g/mol |
| Monoisotopic Mass | 721.38847018 g/mol |
| Topological Polar Surface Area | 289 Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1070 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Fumonisin B1 is a diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. It has a role as a metabolite and a carcinogenic agent. It is a fumonisin, a primary amino compound, a diester and a triol. It is functionally related to a (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol. It is a conjugate acid of a fumonisin B1(3-).