CHEBI:65241 - 2-(pentylsulfanyl)acetic acid

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ChEBI Name 2-(pentylsulfanyl)acetic acid ChEBI ID CHEBI:65241 Definition A C7 sulfur-containing carboxylic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H14O2S Net Charge 0 Average Mass 162.25000 Monoisotopic Mass 162.07145 InChI InChI=1S/C7H14O2S/c1-2-3-4-5-10-6-7(8)9/h2-6H2,1H3,(H,8,9) InChIKey NBEYNZQBEQOQRG-UHFFFAOYSA-N SMILES CCCCCSCC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-(pentylsulfanyl)acetic acid (CHEBI:65241) has functional parent octanoic acid (CHEBI:28837) 2-(pentylsulfanyl)acetic acid (CHEBI:65241) is a carboxylic acid (CHEBI:33575) 2-(pentylsulfanyl)acetic acid (CHEBI:65241) is a sulfur-containing carboxylic acid (CHEBI:33576) Incoming 3-thiaoctanoyl-CoA (CHEBI:41611) has functional parent 2-(pentylsulfanyl)acetic acid (CHEBI:65241) IUPAC Name 2-(pentylsulfanyl)acetic acid Registry Number Type Source 1702257 Reaxys Registry Number Reaxys Last Modified 17 July 2012