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CHEBI:65241 - 2-(pentylsulfanyl)acetic acid

ChEBI IDCHEBI:65241
ChEBI Name2-(pentylsulfanyl)acetic acid
Stars
DefinitionA C7 sulfur-containing carboxylic acid.
Last Modified17 July 2012
Submitternamrata
DownloadsMolfile
FormulaC7H14O2S
Net Charge0
Average Mass162.254
Monoisotopic Mass162.07145
SMILESCCCCCSCC(=O)O
InChIInChI=1S/C7H14O2S/c1-2-3-4-5-10-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKeyNBEYNZQBEQOQRG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
3-thiaoctanoyl-CoA (CHEBI:41611) has functional parent 2-(pentylsulfanyl)acetic acid (CHEBI:65241)
IUPAC Name 
2-(pentylsulfanyl)acetic acid
Registry NumbersSources
Reaxys:1702257Reaxys