Preferred Name |
estrone |
|
Synonyms |
Estrone estrone 3-hydroxyestra-1,3,5(10)-trien-17-one folliculin follicular hormone 3-Hydroxy-1,3,5(10)-estratrien-17-one oestrone |
|
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. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_17263 |
|
charge |
0 |
|
database_cross_reference |
Drug_Central:3188 DrugBank:DB00655 Gmelin:542591 Patent:US1967351 PMID:17447557 PMID:19610377 KEGG:D00067 PMID:13908815 Reaxys:1915077 PMID:24390165 PMID:15784278 CAS:53-16-7 Patent:FR1305992 PMID:24398390 LIPID_MAPS_instance:LMST02010004 PMID:23647561 Beilstein:1915077 LINCS:LSM-3837 HMDB:HMDB0000145 PMID:11786692 Wikipedia:Estrone KEGG:C00468 PDBeChem:J3Z Patent:US1967350 KNApSAcK:C00003663 |
|
definition |
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. |
|
formula |
C18H22O2 |
|
has exact synonym |
Estrone estrone 3-hydroxyestra-1,3,5(10)-trien-17-one |
|
has parent hydride | ||
has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50646 http://purl.obolibrary.org/obo/CHEBI_77746 |
|
has_alternative_id |
CHEBI:23971 CHEBI:4870 CHEBI:14220 |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
folliculin estrone follicular hormone 3-Hydroxy-1,3,5(10)-estratrien-17-one oestrone |
|
id |
CHEBI:17263 |
|
in_subset | ||
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 |
|
inchikey |
DNXHEGUUPJUMQT-CBZIJGRNSA-N |
|
label |
estrone |
|
mass |
270.36608 |
|
monoisotopicmass |
270.16198 |
|
notation |
CHEBI:17263 |
|
prefLabel |
estrone |
|
smiles |
[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21 |
|
subClassOf |