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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_18262
http://purl.obolibrary.org/obo/CHEBI_18262
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_18262
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Preferred name
dodecanoate
Synonyms
laurostearate
n-dodecanoate
duodecyclate
vulvate
dodecanoate
1-undecanecarboxylate
laurate
C12 fatty acid anion
dodecoate
duodecylate
dodecylate
undecane-1-carboxylate
CH3-[CH2]10-COO(-)
Definitions
A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:23863
CHEBI:14187
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
C(CCCCCCCC)CCC([O-])=O
obo_purl:charge
-1
obo_purl:inchikey
POULHZVOKOAJMA-UHFFFAOYSA-M
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76924
http://purl.obolibrary.org/obo/CHEBI_75772
oboinowl_gen:hasDbXref
Gmelin:333430
KEGG:C02679
MetaCyc:DODECANOATE
Beilstein:3588839
Reaxys:3588839
obo_purl:IAO_0000115
A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.
skos:notation
CHEBI:18262
oboinowl_gen:hasExactSynonym
dodecanoate
obo_purl:mass
199.310
obo_purl:inchi
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/p-1
obo_purl:formula
C12H23O2
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_30805
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
laurostearate
n-dodecanoate
duodecyclate
vulvate
1-undecanecarboxylate
laurate
C12 fatty acid anion
dodecoate
duodecylate
dodecylate
undecane-1-carboxylate
CH3-[CH2]10-COO(-)
oboinowl_gen:id
CHEBI:18262
rdfs:label
dodecanoate
obo_purl:monoisotopicmass
199.17035
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_194240
http://purl.obolibrary.org/obo/CHEBI_78119
http://purl.obolibrary.org/obo/CHEBI_76619
http://purl.obolibrary.org/obo/CHEBI_58954
http://purl.obolibrary.org/obo/CHEBI_59558
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