CHEBI:136634 - estrone 3-O-(β-D-glucuronide)(1−)

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ChEBI Name estrone 3-O-(β-D-glucuronide)(1−)
ChEBI ID CHEBI:136634
ChEBI ASCII Name estrone 3-O-(beta-D-glucuronide)(1-)
Definition A steroid glucuronide anion that is the conjugate base of estrone 3-O-(β-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C24H29O8
Net Charge -1
Average Mass 445.483
Monoisotopic Mass 445.18679
InChI InChI=1S/C24H30O8/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/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/p-1/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1
InChIKey FJAZVHYPASAQKM-JBAURARKSA-M
SMILES C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C=C4)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H]
ChEBI Ontology
Outgoing estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is a β-D-glucosiduronate (CHEBI:83411)
estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is a estrane conjugate (CHEBI:167107)
estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is a steroid glucosiduronic acid anion (CHEBI:136637)
estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634) is conjugate base of estrone 3-O-(β-D-glucuronide) (CHEBI:28919)
Incoming estrone 3-O-(β-D-glucuronide) (CHEBI:28919) is conjugate acid of estrone 3-O-(β-D-glucuronide)(1−) (CHEBI:136634)
IUPAC Name
17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronate
Synonym Source
estrone 3-O-(β-D-glucuronate) UniProt
Citation Waiting for Citations Type Source
14986168 PubMed citation SUBMITTER
Last Modified
21 June 2017