CHEBI:133832 - fumonisin B4

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ChEBI Name fumonisin B4
ChEBI ID CHEBI:133832
ChEBI ASCII Name fumonisin B4
Definition A fumonisin that is fumonisin B2 that is lacking hydroxy group located γ- to the amino substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Julian Brandl
Supplier Information ZINC000535385293
Download Molfile XML SDF
Formula C34H59NO13
Net Charge 0
Average Mass 689.832
Monoisotopic Mass 689.39864
InChI 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
InChIKey WYYKRDVIBOEORL-JLCKPESSSA-N
SMILES CCCC[C@H]([C@H]([C@H](C[C@H](CCCCCCCC[C@@H]([C@H](C)N)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) From Aspergillus niger on grapes and raisins. 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 B4 (CHEBI:133832) has role Aspergillus metabolite (CHEBI:76956)
fumonisin B4 (CHEBI:133832) is a diester (CHEBI:51307)
fumonisin B4 (CHEBI:133832) is a fumonisin (CHEBI:38224)
fumonisin B4 (CHEBI:133832) is a primary amino compound (CHEBI:50994)
fumonisin B4 (CHEBI:133832) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,18S,19S)-19-amino-18-hydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}disuccinic acid
Synonym Source
fumonisin B4 ChEBI
Registry Numbers Types Sources
136379-60-7 CAS Registry Number ChemIDplus
19781280 Reaxys Registry Number Reaxys
Last Modified
28 November 2016