CHEBI:62554 - fumonisin B₁(3-)

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ChEBI Name fumonisin B1(3-) ChEBI ID CHEBI:62554 ChEBI ASCII Name fumonisin B1(3-) Definition A tetracarboxylic acid anion resulting from the protonation of the amino group and the deprotonation of all four carboxy groups of fumonisin B1. This is the major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C34H56NO15 Net Charge -3 Average Mass 718.80610 Monoisotopic Mass 718.36664 InChI InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/p-3/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1 InChIKey UVBUBMSSQKOIBE-DSLOAKGESA-K SMILES CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC([O-])=O)C([O-])=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+])OC(=O)C[C@@H](CC([O-])=O)C([O-])=O ChEBI Ontology Outgoing fumonisin B1(3-) (CHEBI:62554) is a ammonium ion derivative (CHEBI:35274) fumonisin B1(3-) (CHEBI:62554) is a tetracarboxylic acid anion (CHEBI:35754) fumonisin B1(3-) (CHEBI:62554) is conjugate base of fumonisin B1 (CHEBI:38221) Incoming fumonisin B1 (CHEBI:38221) is conjugate acid of fumonisin B1(3-) (CHEBI:62554) IUPAC Name (2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-ammonio-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioate Synonym Source fumonisin B1 UniProt Manual Xref Database CPD-13181 MetaCyc View more database links Citation Type Source 19922747 PubMed citation Europe PMC Last Modified 08 July 2011