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CHEBI:15822 - 17α-estradiol 3-glucosiduronic acid

ChEBI IDCHEBI:15822
ChEBI Name17α-estradiol 3-glucosiduronic acid
Stars
ASCII Name17alpha-estradiol 3-glucosiduronic acid
DefinitionA steroid glucosiduronic acid that is 17α-estradiol having a single β-D-glucuronic acid residue attached at position 3.
Secondary ChEBI IDsCHEBI:4863, CHEBI:14218, CHEBI:23962
Last Modified10 July 2017
DownloadsMolfile
FormulaC24H32O8
Net Charge0
Average Mass448.512
Monoisotopic Mass448.20972
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]
InChIInChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)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
InChIKeyMUOHJTRCBBDUOW-FNUZHIFDSA-N
ChEBI Ontology
Outgoing Relation(s)
17α-estradiol 3-glucosiduronic acid (CHEBI:15822) has functional parent 17α-estradiol (CHEBI:17160)
17α-estradiol 3-glucosiduronic acid (CHEBI:15822) is a steroid glucosiduronic acid (CHEBI:26763)
17α-estradiol 3-glucosiduronic acid (CHEBI:15822) is conjugate acid of 17α-estradiol 3-glucosiduronate (CHEBI:57529)
Incoming Relation(s)
17α-estradiol 3-glucosiduronate (CHEBI:57529) is conjugate base of 17α-estradiol 3-glucosiduronic acid (CHEBI:15822)
IUPAC Name 
17α-hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid
Synonyms  Source
Estradiol-17alpha 3-D-glucuronosideKEGG COMPOUND
17α-estradiol 3-glucuronideChEBI
Manual XrefsDatabases
C04300KEGG COMPOUND