CHEBI:195426 - MXNB

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ChEBI Name MXNB
ChEBI ID CHEBI:195426
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H19NO4S
Net Charge 0
Average Mass 297.370
Monoisotopic Mass 297.10348
InChI InChI=1S/C14H19NO4S/c1-9-7-11(8-10(2)13(9)20-3)19-14(18)15-6-4-5-12(16)17/h7-8H,4-6H2,1-3H3,(H,15,18)(H,16,17)
InChIKey HZKUEMFRUVOFKX-UHFFFAOYSA-N
SMILES CSC1=C(C)C=C(OC(=O)NCCCC(O)=O)C=C1C
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing MXNB (CHEBI:195426) has role hapten (CHEBI:59174)
MXNB (CHEBI:195426) is a aryl sulfide (CHEBI:35683)
MXNB (CHEBI:195426) is a carbamate ester (CHEBI:23003)
MXNB (CHEBI:195426) is a methyl sulfide (CHEBI:86315)
MXNB (CHEBI:195426) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
4-({[3,5-dimethyl-4-(methylsulfanyl)phenoxy]carbonyl}amino)butanoic acid
Synonyms Sources
4-({[3,5-dimethyl-4-(methylthio)phenoxy]carbonyl}amino)butanoic acid IUPAC
4-[[1-(4-(methylthio)-3,5-xylyloxy)carbonyl]amino]butanoic acid ChEBI
Manual Xref Database
8979267 ChemSpider
View more database links
Last Modified
19 July 2023
General Comment
2023-07-19 Additional articles: https://doi.org/10.1021/jf980077v