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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_63894
http://purl.obolibrary.org/obo/CHEBI_63894
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_63894
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Preferred name
pivalate
Synonyms
2,2-dimethylpropanoate
2,2-dimethylpropionate
alpha,alpha-dimethylpropionate
neopentanoate
alpha,alpha-dimethylpropanoate
trimethylacetate
Definitions
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of pivalic acid.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC(C)(C)C([O-])=O
obo_purl:charge
-1
obo_purl:inchikey
IUGYQRQAERSCNH-UHFFFAOYSA-M
oboinowl_gen:hasDbXref
Reaxys:3601483
obo_purl:IAO_0000115
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of pivalic acid.
skos:notation
CHEBI:63894
oboinowl_gen:hasExactSynonym
2,2-dimethylpropanoate
obo_purl:mass
101.12380
obo_purl:inchi
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)/p-1
obo_purl:formula
C5H9O2
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_45133
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
2,2-dimethylpropionate
alpha,alpha-dimethylpropionate
neopentanoate
alpha,alpha-dimethylpropanoate
trimethylacetate
oboinowl_gen:id
CHEBI:63894
rdfs:label
pivalate
obo_purl:monoisotopicmass
101.06080
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_35757
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