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

ChEBI IDCHEBI:137490
ChEBI Name17α-estradiol 17-O-(β-D-glucuronide)
Stars
ASCII Name17alpha-estradiol 17-O-(beta-D-glucuronide)
DefinitionA steroid glucosiduronic acid that is 17α-estradiol in which the hydroxy hydrogen at position 17 has been replaced by a β-D-glucuronyl residue.
Last Modified21 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC24H32O8
Net Charge0
Average Mass448.512
Monoisotopic Mass448.20972
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21[H]
InChIInChI=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
InChIKeyMTKNDAQYHASLID-FNUZHIFDSA-N
ChEBI Ontology
Outgoing Relation(s)
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 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 a β-D-glucosiduronic acid (CHEBI:15341)
17α-estradiol 17-O-(β-D-glucuronide) (CHEBI:137490) is conjugate acid of 17α-estradiol 17-O-(β-D-glucuronide)(1−) (CHEBI:136642)
Incoming Relation(s)
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
Citations