CHEBI:187137 - Formoterol 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 Formoterol glucuronide
ChEBI ID CHEBI:187137
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H32N2O10
Net Charge 0
Average Mass 520.535
Monoisotopic Mass 520.20570
InChI InChI=1S/C25H32N2O10/c1-13(9-14-3-6-16(35-2)7-4-14)26-11-18(29)15-5-8-19(17(10-15)27-12-28)36-25-22(32)20(30)21(31)23(37-25)24(33)34/h3-8,10,12-13,18,20-23,25-26,29-32H,9,11H2,1-2H3,(H,27,28)(H,33,34)/t13?,18?,20-,21-,22+,23-,25+/m0/s1
InChIKey CHNNYXWDVZXHPK-FUIIKILGSA-N
SMILES O1[C@@H](OC2=C(NC=O)C=C(C(O)CNC(CC3=CC=C(OC)C=C3)C)C=C2)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Formoterol glucuronide (CHEBI:187137) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,3S,4S,5R,6S)-6-[2-ormamido-4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
81367700 ChemSpider
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Registry Number Type Source
87833-62-3 CAS Registry Number ChemIDplus