CHEBI:136936 - 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−)

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ChEBI Name 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) ChEBI ID CHEBI:136936 ChEBI ASCII Name 4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)(1-) Definition A steroid glucuronide anion that is the conjugate base of 4-hydroxy-17β-estradiol 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 C24H31O9 Net Charge -1 Average Mass 463.498 Monoisotopic Mass 463.19736 InChI InChI=1S/C24H32O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,16,18-21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/p-1/t11-,12-,14+,16+,18+,19+,20-,21+,23-,24+/m1/s1 InChIKey HGCOILRQOIIUJW-ICTMVFLBSA-M SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC=2C(=C3C([C@]4(CC[C@]5([C@]([C@@]4(CC3)[H])(CC[C@@H]5O)[H])C)[H])=CC2)O)O)O)O)C(=O)[O-] ChEBI Ontology Outgoing 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is a β-D-glucosiduronate (CHEBI:83411) 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is a monocarboxylic acid anion (CHEBI:35757) 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is a steroid glucosiduronic acid anion (CHEBI:136637) 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) is conjugate base of 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) Incoming 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide) (CHEBI:137911) is conjugate acid of 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronide)(1−) (CHEBI:136936) IUPAC Name 4,17β-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronate Synonyms Sources (17β)-4,17-dihydroxyestra-1(10),2,4-trien-3-yl β-D-glucopyranosiduronate IUPAC 4-hydroxy-17β-estradiol 3-(β-D-glucuronide)(1−) ChEBI 4-hydroxy-17β-estradiol 3-β-glucuronide(1−) ChEBI 4-hydroxy-17β-estradiol 3-glucuronide(1−) ChEBI 4-hydroxy-17β-estradiol 3-O-(β-D-glucuronate) UniProt 4-OHE2 3G(1−) SUBMITTER Citation Type Source 15472229 PubMed citation SUBMITTER Last Modified 17 July 2017