CHEBI:189404 - alternariol hapten ALb

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ChEBI Name alternariol hapten ALb
ChEBI ID CHEBI:189404
ChEBI ASCII Name alternariol hapten ALb
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H18O7
Net Charge 0
Average Mass 358.346
Monoisotopic Mass 358.10525
InChI InChI=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)
InChIKey HTQJBGQAMDREQL-UHFFFAOYSA-N
SMILES CC1=C2C(OC(=O)C3=C(O)C=C(O)C=C23)=CC(OCCCCC(O)=O)=C1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via alternariol hapten )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 acid IUPAC
Citation Waiting for Citations Type Source
34941720 PubMed citation Europe PMC
Last Modified
18 January 2022