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CHEBI:186589 - 2-[(3-Methyl-2-pentanyl)amino]-6-(methylsulfanyl)benzoic acid

ChEBI IDCHEBI:186589
ChEBI Name2-[(3-Methyl-2-pentanyl)amino]-6-(methylsulfanyl)benzoic acid
Stars
Last Modified3 December 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H21NO2S
Net Charge0
Average Mass267.394
Monoisotopic Mass267.12930
SMILESCCC(C)C(C)Nc1cccc(SC)c1C(=O)O
InChIInChI=1S/C14H21NO2S/c1-5-9(2)10(3)15-11-7-6-8-12(18-4)13(11)14(16)17/h6-10,15H,5H2,1-4H3,(H,16,17)
InChIKeyMANYMXWFADXBHV-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-[(3-Methyl-2-pentanyl)amino]-6-(methylsulfanyl)benzoic acid (CHEBI:186589) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
2-(3-methylpentan-2-ylamino)-6-methylsulanylbenzoic acid
Manual XrefsDatabases
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