CHEBI:42309 - equilin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name equilin
ChEBI ID CHEBI:42309
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:34740, CHEBI:42304
Supplier Information
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Formula C18H20O2
Net Charge 0
Average Mass 268.35020
Monoisotopic Mass 268.146
InChI InChI=1S/C18H20O2/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,2,6-9H2,1H3/t14-,16+,18+/m1/s1
InChIKey WKRLQDKEXYKHJB-HFTRVMKXSA-N
SMILES [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])C1=CCc1cc(O)ccc21
ChEBI Ontology
Outgoing equilin (CHEBI:42309) has parent hydride estrane (CHEBI:23966)
equilin (CHEBI:42309) is a 17-oxo steroid (CHEBI:19168)
equilin (CHEBI:42309) is a 3-hydroxy steroid (CHEBI:36834)
Incoming equilin sodium sulfate (CHEBI:32143) has functional parent equilin (CHEBI:42309)
IUPAC Name
3-hydroxyestra-1,3,5(10),7-tetraen-17-one
Synonyms Sources
1,3,5,7-Estratetraen-3-ol-17-one NIST Chemistry WebBook
7-Dehydroestrone ChemIDplus
Dihydroequilenin ChemIDplus
EQUILIN PDBeChem
Equilin KEGG COMPOUND
Database Links Databases
C14392 KEGG COMPOUND
D04041 KEGG DRUG
DB02187 DrugBank
EQI PDBeChem
LMST02010026 LIPID MAPS
LSM-2063 LINCS
View more database links
Registry Numbers Types Sources
2624302 Beilstein Registry Number Beilstein
474-86-2 CAS Registry Number KEGG COMPOUND
474-86-2 CAS Registry Number ChemIDplus
474-86-2 CAS Registry Number NIST Chemistry WebBook
Last Modified
24 February 2016