CHEBI:81527 - beta-Funaltrexamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name beta-Funaltrexamine
ChEBI ID CHEBI:81527
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H30N2O6
Net Charge 0
Average Mass 454.51550
Monoisotopic Mass 454.21039
InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
InChIKey PQKHESYTSKMWFP-WZJCLRDWSA-N
SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing beta-Funaltrexamine (CHEBI:81527) is a morphinane alkaloid (CHEBI:25418)
Synonym Source
beta-FNA KEGG COMPOUND
Manual Xref Database
C18127 KEGG COMPOUND
View more database links
Registry Number Type Source
72782-05-9 CAS Registry Number KEGG COMPOUND