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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_39547
http://purl.obolibrary.org/obo/CHEBI_39547
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_39547
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Preferred name
(R)-carnitinium
Synonyms
CARNITINE
(2R)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
Definitions
A carnitinium that is the conjugate acid of (R)-carnitine.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
C[N+](C)(C)C[C@H](O)CC(O)=O
obo_purl:charge
+1
obo_purl:inchikey
PHIQHXFUZVPYII-ZCFIWIBFSA-O
oboinowl_gen:hasDbXref
PDBeChem:152
obo_purl:IAO_0000115
A carnitinium that is the conjugate acid of (R)-carnitine.
skos:notation
CHEBI:39547
oboinowl_gen:hasExactSynonym
(2R)-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/t6-/m1/s1
obo_purl:formula
C7H16NO3
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_16347
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
obo_purl:is_enantiomer_of
http://purl.obolibrary.org/obo/CHEBI_51453
oboinowl_gen:hasRelatedSynonym
CARNITINE
oboinowl_gen:id
CHEBI:39547
rdfs:label
(R)-carnitinium
obo_purl:monoisotopicmass
162.11247
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_3424
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