CHEBI:134060 - fumonisin B6

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ChEBI Name fumonisin B6
ChEBI ID CHEBI:134060
ChEBI ASCII Name fumonisin B6
Definition A fumonisin with formula C34H59NO14, originally isolated from Aspergillus niger and also found in unprocessed coffee beans.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C34H59NO15
Net Charge 0
Average Mass 721.831
Monoisotopic Mass 721.38847
InChI InChI=1S/C34H59NO15/c1-5-6-12-20(3)32(50-29(42)18-23(34(47)48)16-27(39)40)25(49-28(41)17-22(33(45)46)15-26(37)38)14-19(2)11-9-7-8-10-13-24(36)31(44)30(43)21(4)35/h19-25,30-32,36,43-44H,5-18,35H2,1-4H3,(H,37,38)(H,39,40)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24?,25-,30+,31?,32+/m0/s1
InChIKey WQXBMSIHHKRGPX-TWFRCCRHSA-N
SMILES CCCC[C@H]([C@H]([C@H](C[C@H](CCCCCCC(C([C@@H]([C@H](C)N)O)O)O)C)OC(C[C@@H](CC(=O)O)C(=O)O)=O)OC(=O)C[C@@H](CC(O)=O)C(=O)O)C
Metabolite of Species Details
Aspergillus niger (NCBI:txid5061) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
mycotoxin
Poisonous substance produced by fungi.
(via fumonisin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing fumonisin B6 (CHEBI:134060) has role Aspergillus metabolite (CHEBI:76956)
fumonisin B6 (CHEBI:134060) is a fumonisin (CHEBI:38224)
fumonisin B6 (CHEBI:134060) is a primary amino compound (CHEBI:50994)
fumonisin B6 (CHEBI:134060) is a triol (CHEBI:27136)
IUPAC Name
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,18R,19S)-19-amino-16,17,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
Citations
Nielsen KF, Ngemela AF, Jensen LB, de Medeiros LS, Rasmussen PH (2015)
UHPLC-MS/MS determination of ochratoxin A and fumonisins in coffee using QuEChERS extraction combined with mixed-mode SPE purification.
Journal of agricultural and food chemistry 63, 1029-1034 [PubMed:25553918]
[show Abstract]
Månsson M, Klejnstrup ML, Phipps RK, Nielsen KF, Frisvad JC, Gotfredsen CH, Larsen TO (2010)
Isolation and NMR characterization of fumonisin B2 and a new fumonisin B6 from Aspergillus niger.
Journal of agricultural and food chemistry 58, 949-953 [PubMed:20028011]
[show Abstract]
Last Modified
15 December 2016