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CHEBI:195428 - MXNH

ChEBI IDCHEBI:195428
ChEBI NameMXNH
Stars
Last Modified19 July 2023
SubmitterAdnan
DownloadsMolfile
FormulaC16H23NO4S
Net Charge0
Average Mass325.430
Monoisotopic Mass325.13478
SMILESCSc1c(C)cc(OC(=O)NCCCCCC(=O)O)cc1C
InChIInChI=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)
InChIKeyPSMYXMORWQMSRL-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)
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  Source
6-({[3,5-dimethyl-4-(methylthio)phenoxy]carbonyl}amino)hexanoic acidIUPAC
6-[[1-(4-(methylthio)-3,5-xylyloxy)carbonyl]amino]hexanoic acidChEBI
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