CHEBI:195428 - MXNH

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ChEBI Name MXNH
ChEBI ID CHEBI:195428
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H23NO4S
Net Charge 0
Average Mass 325.420
Monoisotopic Mass 325.13478
InChI InChI=1S/C16H23NO4S/c1-11-9-13(10-12(2)15(11)22-3)21-16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKey PSMYXMORWQMSRL-UHFFFAOYSA-N
SMILES CSC1=C(C)C=C(OC(=O)NCCCCCC(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 MXNH (CHEBI:195428) has role hapten (CHEBI:59174)
MXNH (CHEBI:195428) is a aryl sulfide (CHEBI:35683)
MXNH (CHEBI:195428) is a carbamate ester (CHEBI:23003)
MXNH (CHEBI:195428) is a methyl sulfide (CHEBI:86315)
MXNH (CHEBI:195428) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
6-({[3,5-dimethyl-4-(methylsulfanyl)phenoxy]carbonyl}amino)hexanoic acid
Synonyms Sources
6-({[3,5-dimethyl-4-(methylthio)phenoxy]carbonyl}amino)hexanoic acid IUPAC
6-[[1-(4-(methylthio)-3,5-xylyloxy)carbonyl]amino]hexanoic acid ChEBI
Manual Xref Database
9005220 ChemSpider
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Last Modified
19 July 2023
General Comment
2023-07-19 Additional articles: https://doi.org/10.1021/jf980077v