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CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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<div><div class='d-flex align-items-center'> <span class="flag-icon flag-icon-gb"></span> <div class='ml-1'> English </div> </div> </div>
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ID
http://purl.obolibrary.org/obo/CHEBI_28872
http://purl.obolibrary.org/obo/CHEBI_28872
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28872
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Preferred name
o-toluate
Synonyms
2-methylbenzoate
o-Toluate
2-toluate
o-Methylbenzoate
Definitions
A toluate that is the conjugate base of o-toluic acid.
Raw data
rdf:type
http://www.w3.org/2002/07/owl#Class
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rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_27021
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rdfs:label
o-toluate
obo_purl:charge
-1
obo_purl:formula
C8H7O2
obo_purl:inchi
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
obo_purl:inchikey
ZWLPBLYKEWSWPD-UHFFFAOYSA-M
obo_purl:mass
135.13998
obo_purl:monoisotopicmass
135.04515
obo_purl:smiles
Cc1ccccc1C([O-])=O
obo_purl:IAO_0000115
A toluate that is the conjugate base of o-toluic acid.
oboinowl_gen:hasExactSynonym
2-methylbenzoate
o-Toluate
oboinowl_gen:hasRelatedSynonym
2-toluate
o-Methylbenzoate
oboinowl_gen:hasDbXref
Beilstein:1866622
KEGG:C07215
Reaxys:1866622
UM-BBD_compID:c0251
oboinowl_gen:hasOBONamespace
chebi_ontology
oboinowl_gen:id
CHEBI:28872
skos:notation
CHEBI:28872
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
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obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76206
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oboinowl_gen:hasAlternativeId
CHEBI:19781
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_36632
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