CHEBI:136971 - 2-methoxyestrone 3-O-(β-D-glucuronide)(1−)

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ChEBI Name 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) ChEBI ID CHEBI:136971 ChEBI ASCII Name 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-) Definition A steroid glucuronide anion that is the conjugate base of 2-methoxyestrone 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel 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 C25H31O9 Net Charge -1 Average Mass 475.509 Monoisotopic Mass 475.19736 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)/p-1/t12-,13+,15-,19-,20-,21+,22-,24+,25-/m0/s1 InChIKey NZTHZDNDYACBSX-FJNWEKAQSA-M 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] ChEBI Ontology Outgoing 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136971) is a β-D-glucosiduronate (CHEBI:83411) 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136971) is a monocarboxylic acid anion (CHEBI:35757) 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136971) is a steroid glucosiduronic acid anion (CHEBI:136637) 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136971) is conjugate base of 2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) Incoming 2-methoxyestrone 3-O-(β-D-glucuronide) (CHEBI:37450) is conjugate acid of 2-methoxyestrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136971) IUPAC Name 2-methoxy-17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate Synonyms Sources 2-MeOE1 3G(1−) SUBMITTER 2-methoxyestrone 3-β-D-glucuronide(1−) ChEBI 2-methoxyestrone 3-β-glucuronide(1−) ChEBI 2-methoxyestrone 3-glucuronide(1−) ChEBI 2-methoxyestrone 3-O-(β-D-glucuronate) UniProt 2-methoxyestrone 3-O-glucuronide(1−) ChEBI Citation Type Source 15472229 PubMed citation SUBMITTER Last Modified 20 July 2017