CHEBI:36491 - 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide)

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ChEBI Name 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) ChEBI ID CHEBI:36491 ChEBI ASCII Name 2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is 2-methoxy-17β-estradiol 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:1186, CHEBI:19674 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H34O9 Net Charge 0 Average Mass 478.533 Monoisotopic Mass 478.22028 InChI InChI=1S/C25H34O9/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/h9-10,12-13,15,18-22,24,26-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,18-,19-,20-,21+,22-,24+,25-/m0/s1 InChIKey LLCPFVIBUZJITJ-GVEMAFOVSA-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@@H](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-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) has functional parent 2-methoxy-17β-estradiol (CHEBI:28955) 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) has role mouse metabolite (CHEBI:75771) 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) is a β-D-glucosiduronic acid (CHEBI:15341) 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) is a 17β-hydroxy steroid (CHEBI:35343) 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) is a aromatic ether (CHEBI:35618) 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) is a steroid glucosiduronic acid (CHEBI:26763) 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) is conjugate acid of 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136974) Incoming 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136974) is conjugate base of 2-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:36491) IUPAC Name 17β-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid Synonyms Sources (17β)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid ChEBI 2-MeOE2 3G ChEBI 2-methoxy-17β-estradiol 3-β-D-glucuronide ChEBI 2-methoxy-17β-estradiol 3-β-glucuronide ChEBI 2-methoxy-17β-estradiol 3-glucosiduronic acid ChEBI 2-methoxy-17β-estradiol 3-glucuronide ChEBI 2-methoxy-17β-estradiol 3-O-(β-D-glucuronic acid) ChEBI 2-methoxy-17β-estradiol 3-O-glucuronide ChEBI 2-Methoxy-estradiol-17beta 3-glucuronide KEGG COMPOUND 2-methoxyestradiol 3-glucuronide ChEBI Manual Xrefs Databases C11131 KEGG COMPOUND HMDB0006765 HMDB LMST05010009 LIPID MAPS View more database links Registry Number Type Source 20544762 Reaxys Registry Number Reaxys Citation Type Source 15472229 PubMed citation Europe PMC Last Modified 20 July 2017