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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_70997
http://purl.obolibrary.org/obo/CHEBI_70997
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_70997
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Preferred name
O-nonanoylcarnitine
Synonyms
3-(nonanoyloxy)-4-(trimethylazaniumyl)butanoate
3-(nonanoyloxy)-4-(trimethylammonio)butanoate
Definitions
A C9-acylcarnitine having nonanoyl as the acyl substituent.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
obo_purl:charge
0
obo_purl:inchikey
MPSPNFAQQQMFLK-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
oboinowl_gen:hasDbXref
PMID:22770225
HMDB:HMDB0013288
obo_purl:IAO_0000115
A C9-acylcarnitine having nonanoyl as the acyl substituent.
skos:notation
CHEBI:70997
oboinowl_gen:hasExactSynonym
3-(nonanoyloxy)-4-(trimethylazaniumyl)butanoate
obo_purl:mass
301.42160
obo_purl:inchi
InChI=1S/C16H31NO4/c1-5-6-7-8-9-10-11-16(20)21-14(12-15(18)19)13-17(2,3)4/h14H,5-13H2,1-4H3
obo_purl:formula
C16H31NO4
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
3-(nonanoyloxy)-4-(trimethylammonio)butanoate
oboinowl_gen:id
CHEBI:70997
rdfs:label
O-nonanoylcarnitine
obo_purl:monoisotopicmass
301.22531
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_86493
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