16alpha-hydroxyestrone 16-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is 16alpha-hydroxyestrone in which the hydroxy hydrogen at position 16 has been replaced by a beta-D-glucuronyl residue.
Exact Synonyms
3-hydroxy-17-oxoestra-1,3,5(10)-trien-16alpha-yl beta-D-glucopyranosiduronic acid
class Information
charge
0
formula
C24H30O9
has_dbxref
- PMID:26220143
- Reaxys:24533670
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C24H30O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-20,23,25-28H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,23-,24+/m1/s1
inchikey
JLYJQBHANCHTOW-OWYKRJLGSA-N
in_subset
mass
462.491
monoisotopicmass
462.18898
smiles
C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2(C(=O)[C@@H]1O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)C)[H])[H])[H]
class Relations
Subclass of
Related from
is conjugate base of