CHEBI:168424 - o-O-glucuronide rosiglitazone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 o-O-glucuronide rosiglitazone
ChEBI ID CHEBI:168424
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H27N3O10S
Net Charge 0
Average Mass 549.550
Monoisotopic Mass 549.14172
InChI InChI=1S/C24H27N3O10S/c1-27(9-10-35-13-6-4-12(5-7-13)11-15-21(31)26-24(34)38-15)20-14(3-2-8-25-20)36-23-18(30)16(28)17(29)19(37-23)22(32)33/h2-8,15-19,23,28-30H,9-11H2,1H3,(H,32,33)(H,26,31,34)
InChIKey YDRMOALONMVDNG-UHFFFAOYSA-N
SMILES S1C(CC2=CC=C(OCCN(C=3N=CC=CC3OC4OC(C(O)C(O)C4O)C(O)=O)C)C=C2)C(=O)NC1=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing o-O-glucuronide rosiglitazone (CHEBI:168424) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
6-[2-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl-methylamino]pyridin-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
74886498 ChemSpider
HMDB0060857 HMDB
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