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ECTO
Environmental Conditions, Treatments and Exposures Ontology
(ECTO)
OWL
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Last submission date April 10, 2024
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ID
http://purl.obolibrary.org/obo/CHEBI_31575
http://purl.obolibrary.org/obo/CHEBI_31575
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_31575
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Preferred name
ethylparaben
Synonyms
4-hydroxybenzoic acid ethyl ester
p-hydroxybenzoic acid ethyl ester
ethyl paraben
ethyl p-hydroxybenzoate
ethyl 4-hydroxybenzoate
E214
p-Oxybenzoesaeureaethylester
E-214
Ethyl parahydroxybenzoate
Definitions
An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol,
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:86616
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_76989
http://purl.obolibrary.org/obo/CHEBI_65256
http://purl.obolibrary.org/obo/CHEBI_76924
http://purl.obolibrary.org/obo/CHEBI_35718
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
C(=O)(C1=CC=C(C=C1)O)OCC
obo_purl:charge
0
obo_purl:inchikey
NUVBSKCKDOMJSU-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76989
http://purl.obolibrary.org/obo/CHEBI_65256
http://purl.obolibrary.org/obo/CHEBI_76924
http://purl.obolibrary.org/obo/CHEBI_35718
oboinowl_gen:hasDbXref
PMID:26901724
PDBeChem:E4B
Wikipedia:Ethylparaben
Drug_Central:4773
PMID:27106519
Reaxys:1101972
HMDB:HMDB0032573
CAS:120-47-8
KEGG:D01647
PMID:27377865
KNApSAcK:C00033837
obo_purl:IAO_0000115
An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol,
skos:notation
CHEBI:31575
oboinowl_gen:hasExactSynonym
ethyl 4-hydroxybenzoate
obo_purl:mass
166.174
obo_purl:inchi
InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
obo_purl:formula
C9H10O3
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
4-hydroxybenzoic acid ethyl ester
p-hydroxybenzoic acid ethyl ester
ethyl paraben
ethyl p-hydroxybenzoate
E214
p-Oxybenzoesaeureaethylester
E-214
Ethyl parahydroxybenzoate
oboinowl_gen:id
CHEBI:31575
rdfs:label
ethylparaben
obo_purl:monoisotopicmass
166.06299
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_23990
http://purl.obolibrary.org/obo/CHEBI_85122
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