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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_68830
http://purl.obolibrary.org/obo/CHEBI_68830
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_68830
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Preferred name
O-decanoylcarnitine
Synonyms
decanoylcarnitine
3-(decanoyloxy)-4-(trimethylammonio)butanoate
Definitions
An O-acylcarnitine compound having decanoyl as the acyl substituent.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
O(C(C[N+](C)(C)C)CC([O-])=O)C(CCCCCCCCC)=O
obo_purl:charge
0
obo_purl:inchikey
LZOSYCMHQXPBFU-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_84087
oboinowl_gen:hasDbXref
PMID:22770225
Reaxys:4145303
HMDB:HMDB0000651
CAS:1492-27-9
PMID:23315938
obo_purl:IAO_0000115
An O-acylcarnitine compound having decanoyl as the acyl substituent.
skos:notation
CHEBI:68830
oboinowl_gen:hasExactSynonym
3-(decanoyloxy)-4-(trimethylammonio)butanoate
obo_purl:mass
315.449
obo_purl:inchi
InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3
obo_purl:formula
C17H33NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
decanoylcarnitine
oboinowl_gen:id
CHEBI:68830
rdfs:label
O-decanoylcarnitine
obo_purl:monoisotopicmass
315.24096
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_17387
http://purl.obolibrary.org/obo/CHEBI_87658
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