CHEBI:193237 - Estradiol acetate glucuronide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Estradiol acetate glucuronide
ChEBI ID CHEBI:193237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O9
Net Charge 0
Average Mass 490.549
Monoisotopic Mass 490.22028
InChI InChI=1S/C26H34O9/c1-12(27)33-19-8-7-18-17-5-3-13-11-14(4-6-15(13)16(17)9-10-26(18,19)2)34-25-22(30)20(28)21(29)23(35-25)24(31)32/h4,6,11,16-23,25,28-30H,3,5,7-10H2,1-2H3,(H,31,32)
InChIKey UJWWCALEXRYEBV-UHFFFAOYSA-N
SMILES O(C1C2(C(C3C(CC2)C4=C(CC3)C=C(OC5OC(C(O)C(O)C5O)C(O)=O)C=C4)CC1)C)C(=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Estradiol acetate glucuronide (CHEBI:193237) is a steroid glucosiduronic acid (CHEBI:26763)
IUPAC Name
6-[(17-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0061687 HMDB
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