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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_17126
http://purl.obolibrary.org/obo/CHEBI_17126
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_17126
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Preferred name
carnitine
Synonyms
3-hydroxy-4-(trimethylammonio)butanoate
carnitine
D,L-carnitine
Definitions
An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:11817
CHEBI:13947
CHEBI:23038
CHEBI:20047
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
0
obo_purl:inchikey
PHIQHXFUZVPYII-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
PMID:22770225
Patent:US4255449
MetaCyc:DL-CARNITINE
Beilstein:1866665
KEGG:C00487
PMID:23868375
Reaxys:1866665
Patent:US4315944
Wikipedia:Carnitine
DrugBank:DB02648
CAS:461-06-3
obo_purl:IAO_0000115
An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4.
skos:notation
CHEBI:17126
oboinowl_gen:hasExactSynonym
3-hydroxy-4-(trimethylammonio)butanoate
carnitine
obo_purl:mass
161.19894
obo_purl:inchi
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_17968
obo_purl:formula
C7H15NO3
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_3424
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
D,L-carnitine
oboinowl_gen:id
CHEBI:17126
rdfs:label
carnitine
obo_purl:monoisotopicmass
161.10519
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_22860
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