CHEBI:5544 - Grepafloxacin glucuronide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Grepafloxacin glucuronide
ChEBI ID CHEBI:5544
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H30FN3O9
Net Charge 0
Average Mass 535.520
Monoisotopic Mass 535.19661
InChI InChI=1S/C25H30FN3O9/c1-10-8-28(6-5-27-10)15-7-14-16(11(2)17(15)26)18(30)13(9-29(14)12-3-4-12)24(36)38-25-21(33)19(31)20(32)22(37-25)23(34)35/h7,9-10,12,19-22,25,27,31-33H,3-6,8H2,1-2H3,(H,34,35)/t10?,19-,20-,21+,22-,25-/m0/s1
InChIKey XFRNDEMKHRYQIZ-NWHISXNDSA-N
SMILES CC1CN(CCN1)c1cc2n(cc(C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(=O)c2c(C)c1F)C1CC1
ChEBI Ontology
Outgoing Grepafloxacin glucuronide (CHEBI:5544) is a glucosiduronic acid (CHEBI:24302)
Synonyms Sources
Grepafloxacin 3-glucuronide KEGG COMPOUND
Grepafloxacin glucuronide KEGG COMPOUND
Manual Xref Database
C11597 KEGG COMPOUND
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Last Modified
28 July 2014