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CHEBI:133832 - fumonisin B4

ChEBI IDCHEBI:133832
ChEBI Namefumonisin B4
Stars
ASCII Namefumonisin B4
DefinitionA fumonisin that is fumonisin B2 that is lacking hydroxy group located γ- to the amino substituent.
Last Modified28 November 2016
SubmitterJubra
DownloadsMolfile

FormulaC34H59NO13
Net Charge0
Average Mass689.840
Monoisotopic Mass689.39864
SMILESCCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCCCC[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=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
InChIKeyWYYKRDVIBOEORL-JLCKPESSSA-N

Species of MetaboliteComponentSourceComments
Aspergillus niger (ncbitaxon:5061) - PubMed (20014861) From Aspergillus niger on grapes and raisins.
Roles Classification

ChEBI Ontology
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 B4ChEBI
Registry NumbersSources
Reaxys:19781280Reaxys
CAS:136379-60-7ChemIDplus