CHEBI:79451 - 3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one
ChEBI ID CHEBI:79451
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:28205206
Download Molfile XML SDF
Formula C23H31NO3
Net Charge 0
Average Mass 369.49710
Monoisotopic Mass 369.23039
InChI InChI=1S/C23H31NO3/c1-23-7-6-17-18(20(23)4-5-22(23)26)3-2-15-13-21(25)16(12-19(15)17)14-24-8-10-27-11-9-24/h12-13,17-18,20,25H,2-11,14H2,1H3/t17-,18+,20-,23-/m0/s1
InChIKey FJWJRQPFLAFCSE-KQZHTCIUSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CN5CCOCC5)cc34)[C@@H]1CCC2=O
ChEBI Ontology
Outgoing 3-Hydroxy-2-(4-morpholinylmethyl)estra-1,3,5(10)-trien-17-one (CHEBI:79451) is a 3-hydroxy steroid (CHEBI:36834)
Synonym Source
2-Morpholinomethylestrone KEGG COMPOUND
Manual Xref Database
C14926 KEGG COMPOUND
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Last Modified
20 January 2015