loading...| Preferred Name |
Estrone |
|
| Synonyms |
3-hydroxyestra-1,3,5(10)-trien-17-one Estrone estrone 3-Hydroxy-1,3,5(10)-estratrien-17-one follicular hormone folliculin 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 LINCS:LSM-3837 LIPID_MAPS_instance:LMST02010004 PMID:23647561 Patent:US1967350 Patent:US1967351 CAS:53-16-7 Gmelin:542591 HMDB:HMDB0000145 PDBeChem:J3Z PMID:24390165 PMID:15784278 PMID:19610377 Patent:FR1305992 KEGG:C00468 PMID:11786692 Beilstein:1915077 PMID:13908815 KNApSAcK:C00003663 PMID:24398390 Wikipedia:Estrone KEGG:D00067 PMID:17447557 Reaxys:1915077 |
|
| 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 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:14220 CHEBI:23971 CHEBI:4870 |
|
| has_exact_synonym |
3-hydroxyestra-1,3,5(10)-trien-17-one Estrone estrone |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3-Hydroxy-1,3,5(10)-estratrien-17-one follicular hormone estrone folliculin oestrone |
|
| has_RxCUI |
4103 |
|
| 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 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 |