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CHEBI:134060 - fumonisin B6

ChEBI IDCHEBI:134060
ChEBI Namefumonisin B6
Stars
ASCII Namefumonisin B6
DefinitionA fumonisin with formula C34H59NO14, originally isolated from Aspergillus niger and also found in unprocessed coffee beans.
Last Modified15 December 2016
SubmitterJubra
DownloadsMolfile
FormulaC34H59NO15
Net Charge0
Average Mass721.838
Monoisotopic Mass721.38847
SMILESCCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCCC(O)C(O)[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=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
InChIKeyWQXBMSIHHKRGPX-TWFRCCRHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (20028011)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
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