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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_86049
http://purl.obolibrary.org/obo/CHEBI_86049
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_86049
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Preferred name
O-pivaloylcarnitine
Synonyms
3-[(2,2-dimethylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Definitions
A C5-acylcarnitine in which the acyl group specified is pivaloyl.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC(C)(C)C(=O)O[C@@H](CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
YICAQFPUDACYGQ-VIFPVBQESA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
oboinowl_gen:hasDbXref
HMDB:HMDB0041993
obo_purl:IAO_0000115
A C5-acylcarnitine in which the acyl group specified is pivaloyl.
skos:notation
CHEBI:86049
oboinowl_gen:hasExactSynonym
3-[(2,2-dimethylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
obo_purl:mass
245.31530
obo_purl:inchi
InChI=1S/C12H23NO4/c1-12(2,3)11(16)17-9(7-10(14)15)8-13(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_45133
obo_purl:formula
C12H23NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id
CHEBI:86049
rdfs:label
O-pivaloylcarnitine
obo_purl:monoisotopicmass
245.16271
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_86492
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