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roseoflavin(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_136521

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.).

Term info

Label

roseoflavin(1-)

Synonyms
  • 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol
Subsets

3_STAR

IUPAC NAME
1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl]-D-ribitol [ IUPAC ]

charge

-1

formula

C18H22N5O6

has obo namespace

chebi_ontology

has related synonym

roseoflavin

id

CHEBI:136521

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

mass

404.398

monoisotopicmass

404.15756

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

Term relations