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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_74303
http://purl.obolibrary.org/obo/CHEBI_74303
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_74303
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Preferred name
O-heptanoylcarnitine
Synonyms
3-(heptanoyloxy)-4-(trimethylammonio)butanoate
Definitions
An O-acylcarnitine that is the O-heptanoyl derivative of carnitine.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
VDPCTFWULDLKHT-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
oboinowl_gen:hasDbXref
HMDB:HMDB0013238
obo_purl:IAO_0000115
An O-acylcarnitine that is the O-heptanoyl derivative of carnitine.
skos:notation
CHEBI:74303
oboinowl_gen:hasExactSynonym
3-(heptanoyloxy)-4-(trimethylammonio)butanoate
obo_purl:mass
273.36850
obo_purl:inchi
InChI=1S/C14H27NO4/c1-5-6-7-8-9-14(18)19-12(10-13(16)17)11-15(2,3)4/h12H,5-11H2,1-4H3
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_45571
obo_purl:formula
C14H27NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id
CHEBI:74303
rdfs:label
O-heptanoylcarnitine
obo_purl:monoisotopicmass
273.19401
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
http://purl.obolibrary.org/obo/CHEBI_33308
http://purl.obolibrary.org/obo/CHEBI_35284
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