Term: | 17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucosiduronic acid |
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Accession: | CHEBI:16129
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Definition: | A derivative of 17alpha-estradiol having beta-glucosiduronic acid and N-acetyl-beta-D-glucosaminyl groups attached at the 3- and 17-positions respectively. |
Synonyms: | exact_synonym: | 17alpha-(2-acetamido-2-deoxy-D-glucopyranosyloxy)estra-1,3,5(10)-trien-3-yl-beta-D-glucopyranosiduronic acid |
| related_synonym: | 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside; 17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucuronide; Formula=C32H45NO13; InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17-,18-,19+,20-,21-,22-,23-,24-,25+,26+,27-,28+,30?,31-,32+/m1/s1; InChIKey=BHYDXVJSMVVTCR-UZIFMWCRSA-N; SMILES=[H][C@]12CC[C@]3(C)[C@@H](CC[C@@]3([H])[C@]1([H])CCc1cc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)ccc21)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |
| alt_id: | CHEBI:11338; CHEBI:19171; CHEBI:787 |
| xref: | KEGG:C04806 |
| cyclic_relationship: | is_conjugate_acid_of CHEBI:57650 |
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