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CHEBI:191183 - zearalenone hapten ZEp

ChEBI IDCHEBI:191183
ChEBI Namezearalenone hapten ZEp
Stars
ASCII Namezearalenone hapten ZEp
DefinitionA macrolide that is an immunizing hapten of the mycotoxin zearalenone which incorporates a carboxylated five-carbon long aliphatic spacer arm through the oxygenated quasi-distal position at C-14.
Last Modified14 April 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILESC[C@H]1CCCC(=O)CCC/C=C/c2cc(OCCCCC(=O)O)cc(O)c2C(=O)O1
InChIInChI=1S/C23H30O7/c1-16-8-7-11-18(24)10-4-2-3-9-17-14-19(29-13-6-5-12-21(26)27)15-20(25)22(17)23(28)30-16/h3,9,14-16,25H,2,4-8,10-13H2,1H3,(H,26,27)/b9-3+/t16-/m0/s1
InChIKeyKAKLPRJCHJCTSM-CFZDNBDDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
zearalenone hapten ZEp (CHEBI:191183) has functional parent zearalenone (CHEBI:10106)
zearalenone hapten ZEp (CHEBI:191183) has role hapten (CHEBI:59174)
zearalenone hapten ZEp (CHEBI:191183) is a macrolide (CHEBI:25106)
zearalenone hapten ZEp (CHEBI:191183) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
5-{[(3S,11E)-16-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-14-yl]oxy}pentanoic acid
Synonyms  Source
hapten ZEpChEBI
(S,E)-5-((16-hydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclotetradecin-14-yl)oxy)pentanoic acidChEBI
Citations