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CHEBI:189404 - alternariol hapten ALb

ChEBI IDCHEBI:189404
ChEBI Namealternariol hapten ALb
Stars
ASCII Namealternariol hapten ALb
DefinitionAn alternariol hapten that is one of two regioisomeric haptens of the mycotoxin alternariol in which the five-atom carboxylated aliphatic spacer arm is located through the hydroxy group at C-3.
Last Modified18 January 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H18O7
Net Charge0
Average Mass358.346
Monoisotopic Mass358.10525
SMILESCc1cc(OCCCCC(=O)O)cc2oc(=O)c3c(O)cc(O)cc3c12
InChIInChI=1S/C19H18O7/c1-10-6-12(25-5-3-2-4-16(22)23)9-15-17(10)13-7-11(20)8-14(21)18(13)19(24)26-15/h6-9,20-21H,2-5H2,1H3,(H,22,23)
InChIKeyHTQJBGQAMDREQL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
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)
alternariol hapten ALb (CHEBI:189404) has functional parent alternariol (CHEBI:64983)
alternariol hapten ALb (CHEBI:189404) has role hapten (CHEBI:59174)
alternariol hapten ALb (CHEBI:189404) is a alternariol hapten (CHEBI:189403)
alternariol hapten ALb (CHEBI:189404) is a benzochromenone (CHEBI:64986)
alternariol hapten ALb (CHEBI:189404) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
5-[(7,9-dihydroxy-1-methyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]pentanoic acid
Synonym  Source
5-[(7,9-dihydroxy-1-methyl-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]pentanoic acidIUPAC
Citations