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CHEBI:195426 - MXNB

ChEBI IDCHEBI:195426
ChEBI NameMXNB
Stars
Last Modified19 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC14H19NO4S
Net Charge0
Average Mass297.376
Monoisotopic Mass297.10348
SMILESCSc1c(C)cc(OC(=O)NCCCC(=O)O)cc1C
InChIInChI=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)
InChIKeyHZKUEMFRUVOFKX-UHFFFAOYSA-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)
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  Source
4-({[3,5-dimethyl-4-(methylthio)phenoxy]carbonyl}amino)butanoic acidIUPAC
4-[[1-(4-(methylthio)-3,5-xylyloxy)carbonyl]amino]butanoic acidChEBI
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