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CHEBI:38221 - fumonisin B1

ChEBI IDCHEBI:38221
ChEBI Namefumonisin B1
Stars
ASCII Namefumonisin B1
DefinitionA diester that results from the condensation of the 1-carboxy groups of two molecules of propane-1,2,3-tricarboxylic acid with hydroxy groups at positions 14 and 15 of (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol.
Secondary ChEBI IDCHEBI:94970
Last Modified28 November 2016
SubmitterMarcus Ennis
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)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=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)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
InChIKeyUVBUBMSSQKOIBE-DSLOAKGESA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(2R,2'R)-2,2'-{[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
Synonyms  Source
MacrofusineChemIDplus
Fumonisin B1ChemIDplus
FB1ChEBI
Manual XrefsDatabases
LMSP01080022LIPID MAPS
CPD-13181MetaCyc
C19241KEGG COMPOUND
LSM-6190LINCS
Registry NumbersSources
CAS:116355-83-0ChemIDplus
CAS:116355-83-0KEGG COMPOUND
Citations