CHEBI:136521 - roseoflavin(1−)

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ChEBI Name roseoflavin(1−)
ChEBI ID CHEBI:136521
ChEBI ASCII Name roseoflavin(1-)
Definition An 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C18H22N5O6
Net Charge -1
Average Mass 404.398
Monoisotopic Mass 404.15756
InChI InChI=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
InChIKey IGQLDUYTWDABFK-GUTXKFCHSA-M
SMILES C(N1C=2C(=NC3=C1C=C(C(=C3)C)N(C)C)C([N-]C(N2)=O)=O)[C@H](O)[C@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing roseoflavin(1−) (CHEBI:136521) is a organic anion (CHEBI:25696)
roseoflavin(1−) (CHEBI:136521) is conjugate base of roseoflavin (CHEBI:72346)
Incoming 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
Synonym Source
roseoflavin UniProt
Last Modified
06 June 2017