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CHEBI:183919 - Fumonisin py4

ChEBI IDCHEBI:183919
ChEBI NameFumonisin py4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H56O14
Net Charge0
Average Mass688.808
Monoisotopic Mass688.36701
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(C)=O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C34H56O14/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/h21-22,24-27,32,36H,5-20H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,24+,25+,26-,27-,32+/m0/s1
InChIKeyPUZDIGQDECBVJT-FLTFDZFMSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
Fumonisin py4 (CHEBI:183919) has functional parent pentacarboxylic acid (CHEBI:35743)
Fumonisin py4 (CHEBI:183919) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2R)-2-[2-[(5R,6R,7S,9S,18S)-6-[(3R)-3,4-dicarboxybutanoyl]oxy-18-hydroxy-5,9-dimethyl-19-oxoicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
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