CHEBI:137966 - 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)

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ChEBI Name 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) ChEBI ID CHEBI:137966 ChEBI ASCII Name 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is 4-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. 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/c1-25-10-9-12-11-5-7-16(33-24-20(29)18(27)19(28)22(34-24)23(30)31)21(32-2)14(11)4-3-13(12)15(25)6-8-17(25)26/h5,7,12-13,15,17-20,22,24,26-29H,3-4,6,8-10H2,1-2H3,(H,30,31)/t12-,13-,15+,17+,18+,19+,20-,22+,24-,25+/m1/s1 InChIKey KBFMKDGMUPKRND-UTXOSXIHSA-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] ChEBI Ontology Outgoing 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) has functional parent 4-methoxy-17β-estradiol (CHEBI:136975) 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a β-D-glucosiduronic acid (CHEBI:15341) 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a 17β-hydroxy steroid (CHEBI:35343) 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a aromatic ether (CHEBI:35618) 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is a steroid glucosiduronic acid (CHEBI:26763) 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) is conjugate acid of 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) Incoming 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136976) is conjugate base of 4-methoxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137966) IUPAC Name 17β-hydroxy-4-methoxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid Synonyms Sources (17β)-17-hydroxy-4-methoxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid IUPAC 4-MeOE2 3G ChEBI 4-methoxy-17β-estradiol 3-β-D-glucuronide ChEBI 4-methoxy-17β-estradiol 3-β-glucuronide ChEBI 4-methoxy-17β-estradiol 3-glucuronide ChEBI 4-methoxy-17β-estradiol 3-O-(β-D-glucuronic acid) ChEBI 4-methoxy-17β-estradiol 3-O-glucuronide ChEBI 4-methoxyestradiol 3-glucuronide ChEBI 4-methoxyestradiol 3-O-glucuronide ChEBI Registry Number Type Source 24400665 Reaxys Registry Number Reaxys Citation Type Source 15472229 PubMed citation Europe PMC Last Modified 21 July 2017