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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_73024
http://purl.obolibrary.org/obo/CHEBI_73024
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_73024
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Preferred name
O-acetylcarnitine
Synonyms
acetylcarnitine
3-(acetyloxy)-4-(trimethylammonio)butanoate
3-(acetyloxy)-4-(trimethylazaniumyl)butanoate
Acetyl-DL-carnitine
DL-O-Acetylcarnitine
Definitions
An O-acylcarnitine having acetyl as the acyl substituent.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC(=O)OC(CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
RDHQFKQIGNGIED-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
CAS:870-77-9
PMID:23315938
Reaxys:4136458
obo_purl:IAO_0000115
An O-acylcarnitine having acetyl as the acyl substituent.
skos:notation
CHEBI:73024
oboinowl_gen:hasExactSynonym
3-(acetyloxy)-4-(trimethylazaniumyl)butanoate
obo_purl:mass
203.23560
obo_purl:inchi
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_15366
obo_purl:formula
C9H17NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_15960
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
acetylcarnitine
3-(acetyloxy)-4-(trimethylammonio)butanoate
Acetyl-DL-carnitine
DL-O-Acetylcarnitine
oboinowl_gen:id
CHEBI:73024
rdfs:label
O-acetylcarnitine
obo_purl:monoisotopicmass
203.11576
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
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