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CHEBI:746993 - cabotegravir glucuronide(1-)

Default Structure
ChEBI IDCHEBI:746993
ChEBI Namecabotegravir glucuronide(1-)
Stars
Last Modified2 December 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC25H24F2N3O11
Net Charge-1
Average Mass580.473
Monoisotopic Mass580.13844
SMILESC[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)c3C(=O)N12
InChIInChI=1S/C25H25F2N3O11/c1-9-8-39-14-7-29-6-12(22(35)28-5-10-2-3-11(26)4-13(10)27)16(31)20(15(29)23(36)30(9)14)40-25-19(34)17(32)18(33)21(41-25)24(37)38/h2-4,6,9,14,17-19,21,25,32-34H,5,7-8H2,1H3,(H,28,35)(H,37,38)/p-1/t9-,14+,17-,18-,19+,21-,25+/m0/s1
InChIKeyRTKNQPQJTXGJQO-ROVNHSCUSA-M
ChEBI Ontology
Outgoing Relation(s)
cabotegravir glucuronide(1-) (CHEBI:746993) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[(3R,6S)-12-[(2,4-difluorophenyl)methylcarbamoyl]-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-dien-10-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate