CHEBI:177541 - remogliflozin etabonate

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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 remogliflozin etabonate
ChEBI ID CHEBI:177541
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H38N2O9
Net Charge 0
Average Mass 522.595
Monoisotopic Mass 522.25773
InChI InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1
InChIKey UAOCLDQAQNNEAX-ABMICEGHSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=NN(C(=C2CC3=CC=C(OC(C)C)C=C3)C)C(C)C)COC(OCC)=O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing remogliflozin etabonate (CHEBI:177541) is a glycoside (CHEBI:24400)
IUPAC Name
ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate
Manual Xrefs Databases
8047110 ChemSpider
D10055 KEGG DRUG
DB12935 KEGG DRUG
View more database links
Registry Number Type Source
442201-24-3 CAS Registry Number ChemIDplus