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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_15960
http://purl.obolibrary.org/obo/CHEBI_15960
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_15960
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Preferred name
O-acetylcarnitinium
Synonyms
(2R)-2-(acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
O-Acetylcarnitine
O-Acetyl-L-carnitine
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:7669
CHEBI:12711
CHEBI:21936
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C
obo_purl:charge
+1
obo_purl:inchikey
RDHQFKQIGNGIED-MRVPVSSYSA-O
oboinowl_gen:hasDbXref
KEGG:C02571
skos:notation
CHEBI:15960
oboinowl_gen:hasExactSynonym
(2R)-2-(acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
obo_purl:mass
204.24356
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/p+1/t8-/m1/s1
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_39547
obo_purl:formula
C9H18NO4
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_73024
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
O-Acetylcarnitine
O-Acetyl-L-carnitine
oboinowl_gen:id
CHEBI:15960
rdfs:label
O-acetylcarnitinium
obo_purl:monoisotopicmass
204.12303
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_35267
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