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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_45133
http://purl.obolibrary.org/obo/CHEBI_45133
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_45133
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Preferred name
pivalic acid
Synonyms
neopentanoic acid
alpha,alpha-dimethylpropionic acid
dimethylpropionic acid
trimethylacetic acid
acide pivalique
Pivalinsaeure
acido pivalico
tert-pentanoic acid
2,2-dimethylpropanoic acid
2,2-dimethylpropionic acid
PIVALIC ACID
acide 2,2-dimethylpropanoique
Definitions
A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:45132
CHEBI:35815
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC(C)(C)C(O)=O
obo_purl:charge
0
obo_purl:inchikey
IUGYQRQAERSCNH-UHFFFAOYSA-N
oboinowl_gen:hasDbXref
Gmelin:82375
PMID:22566287
PMID:16430936
PMID:21509470
PMID:22790609
Wikipedia:Pivalic_acid
PMID:17724113
LIPID_MAPS_instance:LMFA01020073
Beilstein:969480
CAS:75-98-9
PDBeChem:PIV
HMDB:HMDB0041992
Reaxys:969480
obo_purl:IAO_0000115
A branched, short-chain fatty acid composed of propanoic acid having two methyl substituents at the 2-position.
skos:notation
CHEBI:45133
oboinowl_gen:hasExactSynonym
2,2-dimethylpropanoic acid
PIVALIC ACID
obo_purl:mass
102.13170
obo_purl:inchi
InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
obo_purl:formula
C5H10O2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_63894
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
neopentanoic acid
alpha,alpha-dimethylpropionic acid
dimethylpropionic acid
trimethylacetic acid
acide pivalique
Pivalinsaeure
acido pivalico
tert-pentanoic acid
2,2-dimethylpropionic acid
acide 2,2-dimethylpropanoique
oboinowl_gen:id
CHEBI:45133
rdfs:label
pivalic acid
obo_purl:monoisotopicmass
102.06808
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_39417
http://purl.obolibrary.org/obo/CHEBI_26666
http://purl.obolibrary.org/obo/CHEBI_62499
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