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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_28867
http://purl.obolibrary.org/obo/CHEBI_28867
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28867
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Preferred name
O-propanoylcarnitine
Synonyms
Propionyl carnitine
3-(propionyloxy)-4-(trimethylammonio)butanoate
O-Propanoylcarnitine
3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt
Propionylcarnitine
O-Propionylcarnitine
Definitions
An O-acylcarnitine compound having propanoyl as the acyl substituent.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:21972
CHEBI:7701
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
UFAHZIUFPNSHSL-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_35480
http://purl.obolibrary.org/obo/CHEBI_77746
http://purl.obolibrary.org/obo/CHEBI_35842
http://purl.obolibrary.org/obo/CHEBI_49110
http://purl.obolibrary.org/obo/CHEBI_38147
oboinowl_gen:hasDbXref
PMID:22770225
HMDB:HMDB0000824
KEGG:C03017
Beilstein:4137829
Reaxys:4137829
obo_purl:IAO_0000115
An O-acylcarnitine compound having propanoyl as the acyl substituent.
skos:notation
CHEBI:28867
oboinowl_gen:hasExactSynonym
3-(propionyloxy)-4-(trimethylammonio)butanoate
O-Propanoylcarnitine
obo_purl:mass
217.26220
obo_purl:inchi
InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_30768
obo_purl:formula
C10H19NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
Propionyl carnitine
3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt
Propionylcarnitine
O-Propionylcarnitine
oboinowl_gen:id
CHEBI:28867
rdfs:label
O-propanoylcarnitine
obo_purl:monoisotopicmass
217.13141
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
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