1. Home
  2. Universal
  3. Metabolites
  4. estradiolglc
Universal:estradiolglc

17beta-estradiol 3-O-(beta-D-glucuronide)(1-)

Default Component
estradiolglc:-1
  • 17beta-estradiol 3-O-(beta-D-glucuronide)(1-)
  • Charge: -1
  • Formula: C24H31O8
CHEBI:136641
  • 17beta-estradiol 3-O-(beta-D-glucuronide)(1-)
  • Type: Small Molecule
  • InChiKey: MUOHJTRCBBDUOW-QXYWQCSFSA-M
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 447.499[0], 447.0[1]
  • SMILES: [H][C@@]12CCc3cc(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H][0], C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[1]
  • Names: 17beta-estradiol 3-O-(beta-D-glucuronate)[0], 17beta-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronate[0], Estradiol-17beta 3-glucuronide[1], 17beta-Estradiol 3-(beta-D-glucuronide)[1]
Data Sources: [0] CHEBI:136641 via ChEBI, [1] cpd03277 via ModelSEED
Linkouts
Data Sources: [0] CHEBI:136641 via ChEBI, [1] cpd03277 via ModelSEED
Alternative Component
estradiolglc:0
  • 17beta-estradiol 3-glucosiduronic acid
  • Charge: 0
  • Formula: C24H32O8
CHEBI:36489
  • 17beta-estradiol 3-glucosiduronic acid
  • Type: Small Molecule
  • InChiKey: MUOHJTRCBBDUOW-QXYWQCSFSA-N
  • View on ChEBI
Properties
  • Molecular Mass||g/mol: 448.507[0]
  • SMILES: [H][C@@]12CCc3cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H][0]
  • Names: Estradiol-17beta 3-glucuronide[0], 17beta-Estradiol 3-(beta-D-glucuronide)[0], 17beta-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid[0], Estradiol-3-glucuronide[0], 17beta-estradiol 3-glucuronide[0]
Data Sources: [0] CHEBI:36489 via ChEBI
Linkouts
Data Sources: [0] CHEBI:36489 via ChEBI
Metabolite in Models
  BiGG ID Compartment Charge Model Organism
  BiGG ID Compartment Charge Model Organism