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CHEBI:65241 - 2-(pentylsulfanyl)acetic acid
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ChEBI Name
2-(pentylsulfanyl)acetic acid
ChEBI ID
CHEBI:65241
Definition
A C
7
sulfur-containing carboxylic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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