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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_3424
http://purl.obolibrary.org/obo/CHEBI_3424
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_3424
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Preferred name
carnitinium
Synonyms
Carnitine
3-hydroxy-4-(trimethylammonio)butanoic acid
3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
Definitions
A quaternary ammonium ion that is the the conjugate acid of carnitine.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
C[N+](C)(C)CC(O)CC(O)=O
obo_purl:charge
+1
obo_purl:inchikey
PHIQHXFUZVPYII-UHFFFAOYSA-O
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
CAS:406-76-8
KEGG:C00487
CAS:461-06-3
obo_purl:IAO_0000115
A quaternary ammonium ion that is the the conjugate acid of carnitine.
skos:notation
CHEBI:3424
oboinowl_gen:hasExactSynonym
3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
obo_purl:mass
162.20688
obo_purl:inchi
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_16080
obo_purl:formula
C7H16NO3
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_17126
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
Carnitine
3-hydroxy-4-(trimethylammonio)butanoic acid
oboinowl_gen:id
CHEBI:3424
rdfs:label
carnitinium
obo_purl:monoisotopicmass
162.11247
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_35267
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