EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49641 - 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid

Default Structure
ChEBI IDCHEBI:49641
ChEBI Name4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
Stars
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILES[H]OC(=O)C([H])([H])C([H])([H])C(=O)O[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])c4c([H])c(O[H])c([H])c([H])c4[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H]
InChIInChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1
InChIKeyYJPIDPAGJSWWBE-FNIAAEIWSA-N
ChEBI Ontology
Outgoing Relation(s)
4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid (CHEBI:49641) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acidPDBeChem
Manual XrefsDatabases
HE7PDBeChem