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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_73105
http://purl.obolibrary.org/obo/CHEBI_73105
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_73105
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Preferred name
O-behenoylcarnitine
Synonyms
3-(docosyloxy)-4-(trimethylammonio)butanoate
behenoylcarnitine
3-(docosyloxy)-4-(trimethylazaniumyl)butanoate
O-docosanoylcarnitine
docosanoylcarnitine
Definitions
An O-acylcarnitine having behenoyl (docosanoyl) as the acyl substituent.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
IUMXSSOVGPXXJL-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
oboinowl_gen:hasDbXref
PMID:23315938
obo_purl:IAO_0000115
An O-acylcarnitine having behenoyl (docosanoyl) as the acyl substituent.
skos:notation
CHEBI:73105
oboinowl_gen:hasExactSynonym
3-(docosyloxy)-4-(trimethylazaniumyl)butanoate
obo_purl:mass
483.76720
obo_purl:inchi
InChI=1S/C29H57NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h27H,5-26H2,1-4H3
obo_purl:has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_17126
obo_purl:formula
C29H57NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
3-(docosyloxy)-4-(trimethylammonio)butanoate
behenoylcarnitine
O-docosanoylcarnitine
docosanoylcarnitine
oboinowl_gen:id
CHEBI:73105
rdfs:label
O-behenoylcarnitine
obo_purl:monoisotopicmass
483.42876
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
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