EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:183918 - Fumonisin py2

ChEBI IDCHEBI:183918
ChEBI NameFumonisin py2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O15
Net Charge0
Average Mass704.807
Monoisotopic Mass704.36192
SMILESCCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)C(C)=O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C34H56O15/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-21,23-27,32,36-37H,5-19H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,23+,24+,25+,26-,27-,32+/m0/s1
InChIKeyGZCJIEXTWGJVIN-MKHOGIGVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
Fumonisin py2 (CHEBI:183918) has functional parent pentacarboxylic acid (CHEBI:35743)
Fumonisin py2 (CHEBI:183918) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R)-2-[2-[(5R,6R,7S,9S,16R,18S)-6-[(3R)-3,4-dicarboxybutanoyl]oxy-16,18-dihydroxy-5,9-dimethyl-19-oxoicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
71044111ChemSpider