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CHEBI:136521 - roseoflavin(1−)

ChEBI IDCHEBI:136521
ChEBI Nameroseoflavin(1−)
Stars
ASCII Nameroseoflavin(1-)
DefinitionAn organic anion that is the conjugate base of roseoflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified6 June 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H22N5O6
Net Charge-1
Average Mass404.403
Monoisotopic Mass404.15756
SMILESCc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N(C)C
InChIInChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/p-1/t12-,13+,15-/m0/s1
InChIKeyIGQLDUYTWDABFK-GUTXKFCHSA-M
ChEBI Ontology
Outgoing Relation(s)
roseoflavin(1−) (CHEBI:136521) is a organic anion (CHEBI:25696)
roseoflavin(1−) (CHEBI:136521) is conjugate base of roseoflavin (CHEBI:72346)
Incoming Relation(s)
roseoflavin (CHEBI:72346) is conjugate acid of roseoflavin(1−) (CHEBI:136521)
IUPAC Name 
1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol
UniProt Name  Source
roseoflavinUniProt