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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_73074
http://purl.obolibrary.org/obo/CHEBI_73074
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_73074
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Preferred name
O-stearoylcarnitine
Synonyms
stearoylcarnitine
Acylcarnitine C18:0
octadecanoylcarnitine
3-(octadecanoyloxy)-4-(trimethylazaniumyl)butanoate
3-(octadecanoyloxy)-4-(trimethylammonio)butanoate
O-octadecanoylcarnitine
Definitions
An O-acylcarnitine having stearoyl (octadecanoyl) as the acyl substituent.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
FNPHNLNTJNMAEE-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
PMID:17761175
HMDB:HMDB0000848
PMID:17029002
Reaxys:8731846
PMID:23315938
obo_purl:IAO_0000115
An O-acylcarnitine having stearoyl (octadecanoyl) as the acyl substituent.
skos:notation
CHEBI:73074
oboinowl_gen:hasExactSynonym
3-(octadecanoyloxy)-4-(trimethylazaniumyl)butanoate
obo_purl:mass
427.66090
obo_purl:inchi
InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h23H,5-22H2,1-4H3
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_28842
obo_purl:formula
C25H49NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
stearoylcarnitine
Acylcarnitine C18:0
octadecanoylcarnitine
3-(octadecanoyloxy)-4-(trimethylammonio)butanoate
O-octadecanoylcarnitine
oboinowl_gen:id
CHEBI:73074
rdfs:label
O-stearoylcarnitine
obo_purl:monoisotopicmass
427.36616
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
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