Molecule

Fumonisin_B1

AlkaPlorer ID: AK005115

Synonym: 'Fumonisin_B1'

IUPAC Name: (2S)-2-[2-[(5R,6R,7S,8S,10R,15R,17S,18S)-18-amino-7-[(3S)-3,4-dicarboxybutanoyl]oxy-10,15,17-trihydroxy-5,8-dimethylnonadecan-6-yl]oxy-2-oxoethyl]butanedioic acid

Structure

SMILES: CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N

InChI: InChI=1S/C33H57NO15/c1-5-6-9-18(2)30(48-28(42)15-21(32(44)45)13-26(38)39)31(49-29(43)16-22(33(46)47)14-27(40)41)19(3)12-23(35)10-7-8-11-24(36)17-25(37)20(4)34/h18-25,30-31,35-37H,5-17,34H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t18-,19+,20+,21+,22+,23-,24-,25+,30-,31+/m1/s1

InChIKey: YXBNQTGKGCNTPV-VCEHAEOKSA-N

Reference

Fumonisin Production by <i>Fusarium verticillioides</i> Strains Isolated from Maize in Mexico and Development of a Polymerase Chain Reaction to Detect Potential Toxigenic Strains in Grains

PubChem CID: 52949284

LOTUS: LTS0069326

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fusarium verticillioides	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 707.811

TPSA？: 288.50999999999993

MolLogP？: 2.174100000000004

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Hepacivirus hominis	Hepatitis C virus	Activity	None	None	10.1038/nchembio742