CHEBI:137961 - 4-hydroxyestrone 4-O-(β-D-glucuronide)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxyestrone 4-O-(β-D-glucuronide)
ChEBI ID CHEBI:137961
ChEBI ASCII Name 4-hydroxyestrone 4-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid that is 4-hydroxyestrone having a single β-D-glucuronic acid residue attached at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H30O9
Net Charge 0
Average Mass 462.491
Monoisotopic Mass 462.18898
InChI InChI=1S/C24H30O9/c1-24-9-8-11-10-4-6-15(25)20(13(10)3-2-12(11)14(24)5-7-16(24)26)32-23-19(29)17(27)18(28)21(33-23)22(30)31/h4,6,11-12,14,17-19,21,23,25,27-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11-,12-,14+,17+,18+,19-,21+,23-,24+/m1/s1
InChIKey XSEHSKUBWMKIFT-ATASCAFHSA-N
SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC=2C3=C([C@@]4([C@]([C@]5([C@@](C(=O)CC5)(CC4)C)[H])(CC3)[H])[H])C=CC2O)O)O)O)C(=O)O
ChEBI Ontology
Outgoing 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) has functional parent 4-hydroxyestrone (CHEBI:87602)
4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a β-D-glucosiduronic acid (CHEBI:15341)
4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a 17-oxo steroid (CHEBI:19168)
4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a 3-hydroxy steroid (CHEBI:36834)
4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is a steroid glucosiduronic acid (CHEBI:26763)
4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961) is conjugate acid of 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970)
Incoming 4-hydroxyestrone 4-O-(β-D-glucuronide)(1−) (CHEBI:136970) is conjugate base of 4-hydroxyestrone 4-O-(β-D-glucuronide) (CHEBI:137961)
IUPAC Name
3-hydroxy-17-oxoestra-1,3,5(10)-trien-4-yl β-D-glucopyranosiduronic acid
Synonyms Sources
4-hydroxyestrone 4-β-D-glucuronide ChEBI
4-hydroxyestrone 4-β-glucuronide ChEBI
4-hydroxyestrone 4-glucuronide ChEBI
4-hydroxyestrone 4-O-(β-D-glucuronic acid) ChEBI
4-hydroxyestrone 4-O-glucuronide ChEBI
4-OHE1 4G ChEBI
Registry Number Type Source
24366853 Reaxys Registry Number Reaxys
Last Modified
20 July 2017