estrone

estrone




Chemical Formula:
C18H22O2
Molecular Weight:
270.371 Daltons
Monoisotopic Mass:
270.1619799504 Daltons
SMILES:
CC12([CH](CCC(=O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))
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

Synonyms
  • hydroxyestrones
  • folliculin
  • estrovarin
  • 3-hydroxyl-1,3,5(10)-estratrien-17-one
  • estrol
  • follicular hormone
  • progynon

Databases
MetaCyc:  ESTRONE
RefMet:  Estrone
DRUGBANK:  DB00655
ChEBI:  17263
PubChem (CID):  5870
MetaboLights:  MTBLC17263
HMDB:  HMDB00145
ChemSpider:  5660
KEGG:  C00468
CAS:  53-16-7
Seed:  cpd00362
MetaNetX:  MNXM327
PupChem (SID):  3751
CHEMBL:  CHEMBL1405
LIPID MAPS:  LMST02010004
LIPIDBANK:  SST0015 SST0067
KNApSAcK:  C00003663
PDB-CCD:  J3Z
3DMET:  B01252
NIKKAJI:  J9.114F