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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_27869
http://purl.obolibrary.org/obo/CHEBI_27869
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_27869
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Preferred name
chloroacetic acid
Synonyms
monochloroacetic acid
CAA
monochloroethanoic acid
chloracetic acid
2-chloro-acetic acid
2-chloro-ethanoic acid
2-chloroacetic acid
Monochloressigsaeure
chloroacetic acid
Acide chloroacetique
alpha-chloro-acetic acid
Chloroacetic acid
Acide monochloracetique
Acide chloracetique
Chloroethanoic acid
Definitions
A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:3622
CHEBI:23125
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_24527
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http://purl.obolibrary.org/obo/CHEBI_22333
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oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:smiles
OC(=O)CCl
obo_purl:charge
0
obo_purl:inchikey
FOCAUTSVDIKZOP-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_24527
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http://purl.obolibrary.org/obo/CHEBI_22333
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oboinowl_gen:hasDbXref
LIPID_MAPS_instance:LMFA01090068
PMID:15033542
PMID:25451595
Pesticides:monochloroacetic%20acid
CAS:79-11-8
PMID:23103613
KEGG:D07677
PDBeChem:R3W
KEGG:C06755
MetaCyc:CHLOROACETIC-ACID
HMDB:HMDB0031331
PMID:16647117
PMID:17490874
PMID:12359395
Reaxys:605438
obo_purl:IAO_0000115
A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.
skos:notation
CHEBI:27869
oboinowl_gen:hasExactSynonym
chloroacetic acid
Chloroacetic acid
obo_purl:mass
94.49700
obo_purl:inchi
InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
obo_purl:formula
C2H3ClO2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_23123
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oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
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oboinowl_gen:hasRelatedSynonym
monochloroacetic acid
CAA
monochloroethanoic acid
chloracetic acid
2-chloro-acetic acid
2-chloro-ethanoic acid
2-chloroacetic acid
Monochloressigsaeure
Acide chloroacetique
alpha-chloro-acetic acid
Acide monochloracetique
Acide chloracetique
Chloroethanoic acid
oboinowl_gen:id
CHEBI:27869
rdfs:label
chloroacetic acid
obo_purl:monoisotopicmass
93.98216
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_16277
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http://purl.obolibrary.org/obo/CHEBI_36685
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