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ontologies
ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_16555
http://purl.obolibrary.org/obo/CHEBI_16555
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_16555
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Preferred name
ethanethioic S-acid
Synonyms
CH3COSH
acetyl mercaptan
thioacetic S-acid
Thioacetic acid
ethanethioic S-acid
Definitions
A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:9547
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC(S)=O
obo_purl:charge
0
obo_purl:inchikey
DUYAAUVXQSMXQP-UHFFFAOYSA-N
obo_purl:is_tautomer_of
http://purl.obolibrary.org/obo/CHEBI_46800
oboinowl_gen:hasDbXref
KEGG:C01857
Beilstein:773684
Gmelin:49262
Reaxys:773684
PMID:23298036
CAS:507-09-5
obo_purl:IAO_0000115
A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom.
skos:notation
CHEBI:16555
oboinowl_gen:hasExactSynonym
ethanethioic S-acid
obo_purl:mass
76.11856
obo_purl:inchi
InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
obo_purl:formula
C2H4OS
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
CH3COSH
acetyl mercaptan
thioacetic S-acid
Thioacetic acid
oboinowl_gen:id
CHEBI:16555
rdfs:label
ethanethioic S-acid
obo_purl:monoisotopicmass
75.99829
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_26952
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