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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_73039
http://purl.obolibrary.org/obo/CHEBI_73039
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_73039
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Preferred name
O-octanoylcarnitine
Synonyms
octanoylcarnitine
3-(octanoyloxy)-4-(trimethylazaniumyl)butanoate
3-(octanoyloxy)-4-(trimethylammonio)butanoate
Definitions
An O-acylcarnitine having octanoyl as the acyl substituent.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
CXTATJFJDMJMIY-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
oboinowl_gen:hasDbXref
Reaxys:4142987
PMID:23315938
CAS:3671-77-0
obo_purl:IAO_0000115
An O-acylcarnitine having octanoyl as the acyl substituent.
skos:notation
CHEBI:73039
oboinowl_gen:hasExactSynonym
3-(octanoyloxy)-4-(trimethylazaniumyl)butanoate
obo_purl:mass
287.39510
obo_purl:inchi
InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3
obo_purl:formula
C15H29NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
octanoylcarnitine
3-(octanoyloxy)-4-(trimethylammonio)butanoate
oboinowl_gen:id
CHEBI:73039
rdfs:label
O-octanoylcarnitine
obo_purl:monoisotopicmass
287.20966
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
http://purl.obolibrary.org/obo/CHEBI_87657
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