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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_16469
http://purl.obolibrary.org/obo/CHEBI_16469
https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_16469
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Preferred name
17beta-estradiol
Synonyms
17beta-estradiol
17beta-oestradiol
Estradiol-17beta
estra-1,3,5(10)-triene-3,17beta-diol
(17beta)-estra-1,3,5(10)-triene-3,17-diol
ESTRADIOL
Estradiol
cis-estradiol
17beta oestradiol
17beta-estra-1,3,5(10)-triene-3,17-diol
beta-Estradiol
Definitions
The 17beta-isomer of estradiol.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:14219
CHEBI:4864
CHEBI:42475
CHEBI:23963
obo_purl:RO_0000053
http://purl.obolibrary.org/obo/CHEBI_62872
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_83056
http://purl.obolibrary.org/obo/CHEBI_176497
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21
obo_purl:charge
0
obo_purl:inchikey
VOXZDWNPVJITMN-ZBRFXRBCSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_62872
http://purl.obolibrary.org/obo/CHEBI_75771
http://purl.obolibrary.org/obo/CHEBI_83056
http://purl.obolibrary.org/obo/CHEBI_176497
oboinowl_gen:hasDbXref
PMID:8098802
PMID:10585175
PMID:1777462
PDBeChem:EST
Drug_Central:1057
CAS:50-28-2
PMID:14681337
PMID:8567793
PMID:16313478
PMID:10843196
Reaxys:1914275
DrugBank:DB00783
LINCS:LSM-2421
PMID:10438974
Beilstein:1914275
Wikipedia:Estradiol
PMID:3621671
HMDB:HMDB0000151
PMID:23901460
PMID:17124377
KEGG:D00105
KEGG:C00951
Chemspider:5554
PMID:24134630
PMID:11703424
Gmelin:290805
LIPID_MAPS_instance:LMST02010001
PMID:24449492
obo_purl:IAO_0000115
The 17beta-isomer of estradiol.
skos:notation
CHEBI:16469
oboinowl_gen:hasExactSynonym
17beta-estradiol
estra-1,3,5(10)-triene-3,17beta-diol
obo_purl:mass
272.38200
obo_purl:inchi
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
obo_purl:formula
C18H24O2
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
17beta-oestradiol
Estradiol-17beta
(17beta)-estra-1,3,5(10)-triene-3,17-diol
ESTRADIOL
Estradiol
cis-estradiol
17beta oestradiol
17beta-estra-1,3,5(10)-triene-3,17-diol
beta-Estradiol
oboinowl_gen:id
CHEBI:16469
rdfs:label
17beta-estradiol
obo_purl:monoisotopicmass
272.17763
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_23965
http://purl.obolibrary.org/obo/CHEBI_35343
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