CHEBI:37450 - 2-methoxyestrone 3-O-(β-D-glucuronide)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-methoxyestrone 3-O-(β-D-glucuronide)
ChEBI ID CHEBI:37450
ChEBI ASCII Name 2-methoxyestrone 3-O-(beta-D-glucuronide)
Definition A steroid glucosiduronic acid that is 2-methoxyestrone having a single β-D-glucuronic acid residue attached at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1190, CHEBI:19676
Supplier Information
Download Molfile XML SDF
Formula C25H32O9
Net Charge 0
Average Mass 476.517
Monoisotopic Mass 476.20463
InChI InChI=1S/C25H32O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,19-22,24,27-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,19-,20-,21+,22-,24+,25-/m0/s1
InChIKey NZTHZDNDYACBSX-FJNWEKAQSA-N
SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=C4)OC)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) has functional parent 2-methoxyestrone (CHEBI:1189)
2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) has role mouse metabolite (CHEBI:75771)
2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) is a β-D-glucosiduronic acid (CHEBI:15341)
2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) is a 17-oxo steroid (CHEBI:19168)
2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) is a aromatic ether (CHEBI:35618)
2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) is a steroid glucosiduronic acid (CHEBI:26763)
2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) is conjugate acid of 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136971)
Incoming 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136971) is conjugate base of 2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450)
IUPAC Name
2-methoxy-17-oxoestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronic acid
Synonyms Sources
2-MeOE1 3G ChEBI
2-methoxyestrone 3-β-D-glucuronide ChEBI
2-methoxyestrone 3-β-glucuronide ChEBI
2-methoxyestrone 3-glucosiduronic acid ChEBI
2-Methoxyestrone 3-glucuronide KEGG COMPOUND
2-methoxyestrone 3-glucuronoside ChEBI
2-methoxyestrone 3-O-(β-D-glucuronic acid) ChEBI
2-methoxyestrone 3-O-glucuronide ChEBI
2-Methoxyestrone-3-glucuronide ChemIDplus
Manual Xrefs Databases
C11132 KEGG COMPOUND
LMST05010010 LIPID MAPS
View more database links
Registry Numbers Types Sources
11305842 Reaxys Registry Number Reaxys
25577-70-2 CAS Registry Number KEGG COMPOUND
25577-70-2 CAS Registry Number ChemIDplus
Last Modified
20 July 2017