CHEBI:32663 - tamoxifen N-β-D-glucosiduronic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name tamoxifen N-β-D-glucosiduronic acid
ChEBI ID CHEBI:32663
ChEBI ASCII Name tamoxifen N-beta-D-glucosiduronic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H38NO7
Net Charge +1
Average Mass 548.64666
Monoisotopic Mass 548.26428
InChI InChI=1S/C32H37NO7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)39-20-19-33(2,3)31-29(36)27(34)28(35)30(40-31)32(37)38/h5-18,27-31,34-36H,4,19-20H2,1-3H3/p+1/b26-25-/t27-,28-,29+,30-,31+/m0/s1
InChIKey UKFQQYJAYUAYES-DTMHFWPESA-O
SMILES CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCC[N+](C)(C)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1
ChEBI Ontology
Outgoing tamoxifen N-β-D-glucosiduronic acid (CHEBI:32663) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name
N-(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)-N,N-dimethyl-β-D-glucopyranuronosylaminium
Synonym Source
tamoxifen N-glucuronide ChEBI
Last Modified
05 August 2008