CHEBI:137490 - 17α-estradiol 17-O-(β-D-glucuronide)

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ChEBI Name 17α-estradiol 17-O-(β-D-glucuronide) ChEBI ID CHEBI:137490 ChEBI ASCII Name 17alpha-estradiol 17-O-(beta-D-glucuronide) Definition A steroid glucosiduronic acid that is 17α-estradiol in which the hydroxy hydrogen at position 17 has been replaced by a β-D-glucuronyl residue. 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 C24H32O8 Net Charge 0 Average Mass 448.507 Monoisotopic Mass 448.20972 InChI InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17-,18+,19+,20-,21+,23-,24+/m1/s1 InChIKey MTKNDAQYHASLID-FNUZHIFDSA-N SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(O)C=C4)CC3)(CC[C@@]2([C@H](O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)C1)C)[H])[H])[H] ChEBI Ontology Outgoing 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) has functional parent 17α-estradiol (CHEBI:17160) 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) is a β-D-glucosiduronic acid (CHEBI:15341) 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) is a 3-hydroxy steroid (CHEBI:36834) 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) is a phenols (CHEBI:33853) 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) is a steroid glucosiduronic acid (CHEBI:26763) 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) is conjugate acid of 17α-estradiol 17-O-(β-D-glucuronide)(1−) (CHEBI:136642) Incoming 17α-estradiol 17-O-(β-D-glucuronide)(1−) (CHEBI:136642) is conjugate base of 17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) IUPAC Name 3-hydroxyestra-1,3,5(10)-trien-17α-yl β-D-glucopyranosiduronic acid Citation Type Source 18719240 PubMed citation Europe PMC Last Modified 21 June 2017