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CHEBI:198122 - Fumonisin FP1

ChEBI IDCHEBI:198122
ChEBI NameFumonisin FP1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC39H62NO16
Net Charge+1
Average Mass800.916
Monoisotopic Mass800.40631
SMILESCCCCC(C)C(OC(=O)CC(CC(=O)O)C(=O)O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)[n+]1cccc(O)c1)OC(=O)CC(CC(=O)O)C(=O)O
InChIInChI=1S/C39H61NO16/c1-5-6-10-24(3)37(56-36(50)20-27(39(53)54)18-34(47)48)32(55-35(49)19-26(38(51)52)17-33(45)46)16-23(2)15-28(41)11-7-8-12-29(42)21-31(44)25(4)40-14-9-13-30(43)22-40/h9,13-14,22-29,31-32,37,41-42,44H,5-8,10-12,15-21H2,1-4H3,(H4-,43,45,46,47,48,51,52,53,54)/p+1
InChIKeyPUBXIIADYBXHSN-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (8904846)
ChEBI Ontology
Outgoing Relation(s)
Fumonisin FP1 (CHEBI:198122) has functional parent pentacarboxylic acid (CHEBI:35743)
Fumonisin FP1 (CHEBI:198122) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[2-[6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-19-(3-hydroxypyridin-1-ium-1-yl)-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
HMDB0031826HMDB
8780810ChemSpider