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CHEBI:76014 - dolutegravir(1−)

ChEBI IDCHEBI:76014
ChEBI Namedolutegravir(1−)
Stars
ASCII Namedolutegravir(1-)
DefinitionAn organic anion that is the conjugate base of dolutegravir, obtained by deptotonation of the 7-hydroxy group.
Last Modified21 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC20H18F2N3O5
Net Charge-1
Average Mass418.376
Monoisotopic Mass418.12200
SMILES[H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N1[C@H](C)CCO2
InChIInChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/p-1/t10-,15+/m1/s1
InChIKeyRHWKPHLQXYSBKR-BMIGLBTASA-M
ChEBI Ontology
Outgoing Relation(s)
dolutegravir(1−) (CHEBI:76014) is a organic anion (CHEBI:25696)
dolutegravir(1−) (CHEBI:76014) is conjugate base of dolutegravir (CHEBI:76010)
Incoming Relation(s)
dolutegravir sodium (CHEBI:76007) has part dolutegravir(1−) (CHEBI:76014)
dolutegravir (CHEBI:76010) is conjugate acid of dolutegravir(1−) (CHEBI:76014)
IUPAC Name 
(4R,12aS)-9-[(2,4-difluorobenzyl)carbamoyl]-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazin-7-olate
Synonym  Source
dolutegravir anionChEBI