Terminology Service for NFDI4Health
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roseoflavin

Go to external page http://purl.obolibrary.org/obo/CHEBI_72346

A benzopteridine that is riboflavin in which the methyl group at position 8 is substituted by a dimethylamino group.

Term info

Label

roseoflavin

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

3_STAR

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

charge

0

formula

C18H23N5O6

has obo namespace

chebi_ontology

has related synonym

Roseoflavine, 8-demethyl-8-(dimethylamino)riboflavin

id

CHEBI:72346

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)/t12-,13+,15-/m0/s1

inchikey

IGQLDUYTWDABFK-GUTXKFCHSA-N

mass

405.40510

monoisotopicmass

405.16483

smiles

CN(C)c1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3nc(=O)[nH]c(=O)c3nc2cc1C