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ChEBI
> Main
CHEBI:195428 - MXNH
Main
ChEBI Ontology
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ChEBI Name
MXNH
ChEBI ID
CHEBI:195428
Stars
This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
View more database links
Last Modified
19 July 2023
General Comment
2023-07-19
Additional articles: https://doi.org/10.1021/jf980077v