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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_17263
http://purl.obolibrary.org/obo/CHEBI_17263
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_17263
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Preferred name
estrone
Synonyms
oestrone
Estrone
estrone
3-hydroxyestra-1,3,5(10)-trien-17-one
follicular hormone
folliculin
3-Hydroxy-1,3,5(10)-estratrien-17-one
Definitions
A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:14220
CHEBI:4870
CHEBI:23971
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_50114
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_35610
http://purl.obolibrary.org/obo/CHEBI_50646
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21
obo_purl:charge
0
obo_purl:inchikey
DNXHEGUUPJUMQT-CBZIJGRNSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_50114
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_35610
http://purl.obolibrary.org/obo/CHEBI_50646
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
Patent:FR1305992
PDBeChem:J3Z
PMID:19610377
PMID:24398390
KNApSAcK:C00003663
DrugBank:DB00655
PMID:23647561
LINCS:LSM-3837
PMID:13908815
CAS:53-16-7
Wikipedia:Estrone
Patent:US1967351
Reaxys:1915077
PMID:11786692
PMID:15784278
KEGG:C00468
Drug_Central:3188
PMID:17447557
Beilstein:1915077
LIPID_MAPS_instance:LMST02010004
HMDB:HMDB0000145
KEGG:D00067
Gmelin:542591
Patent:US1967350
PMID:24390165
obo_purl:IAO_0000115
A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.
skos:notation
CHEBI:17263
oboinowl_gen:hasExactSynonym
Estrone
estrone
3-hydroxyestra-1,3,5(10)-trien-17-one
obo_purl:mass
270.36608
obo_purl:inchi
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
obo_purl:formula
C18H22O2
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:has_parent_hydride
http://purl.obolibrary.org/obo/CHEBI_23966
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
oestrone
estrone
follicular hormone
folliculin
3-Hydroxy-1,3,5(10)-estratrien-17-one
oboinowl_gen:id
CHEBI:17263
rdfs:label
estrone
obo_purl:monoisotopicmass
270.16198
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_177917
http://purl.obolibrary.org/obo/CHEBI_19168
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