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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_68568
http://purl.obolibrary.org/obo/CHEBI_68568
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_68568
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Preferred name
O-adipoylcarnitine
Synonyms
3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Definitions
An O-acylcarnitine compound having adipoyl as the acyl substituent.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
C[N+](C)(C)CC(CC([O-])=O)OC(=O)CCCCC(O)=O
obo_purl:charge
0
obo_purl:inchikey
BSVHAXJKBCWVDA-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
oboinowl_gen:hasDbXref
PMID:22770225
Reaxys:14657154
PMID:23315938
obo_purl:IAO_0000115
An O-acylcarnitine compound having adipoyl as the acyl substituent.
skos:notation
CHEBI:68568
oboinowl_gen:hasExactSynonym
3-[(5-carboxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate
obo_purl:mass
289.32480
obo_purl:inchi
InChI=1S/C13H23NO6/c1-14(2,3)9-10(8-12(17)18)20-13(19)7-5-4-6-11(15)16/h10H,4-9H2,1-3H3,(H-,15,16,17,18)
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_30832
obo_purl:formula
C13H23NO6
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_77082
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
3-[(5-carboxypentanoyl)oxy]-4-(trimethylammonio)butanoate
oboinowl_gen:id
CHEBI:68568
rdfs:label
O-adipoylcarnitine
obo_purl:monoisotopicmass
289.15254
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
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