EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72346 - roseoflavin

ChEBI IDCHEBI:72346
ChEBI Nameroseoflavin
Stars
DefinitionA benzopteridine that is riboflavin in which the methyl group at position 8 is substituted by a dimethylamino group.
Last Modified6 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H23N5O6
Net Charge0
Average Mass405.411
Monoisotopic Mass405.16483
SMILESCc1cc2nc3c(=O)nc(=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)/t12-,13+,15-/m0/s1
InChIKeyIGQLDUYTWDABFK-GUTXKFCHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces davawensis (ncbitaxon:348043) - PubMed (19333008)
Bacillus subtilis (ncbitaxon:1423) - PubMed (19246992)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
roseoflavin (CHEBI:72346) has functional parent riboflavin (CHEBI:17015)
roseoflavin (CHEBI:72346) has role antimicrobial agent (CHEBI:33281)
roseoflavin (CHEBI:72346) has role bacterial metabolite (CHEBI:76969)
roseoflavin (CHEBI:72346) is a benzopteridine (CHEBI:38925)
roseoflavin (CHEBI:72346) is conjugate acid of roseoflavin(1−) (CHEBI:136521)
Incoming Relation(s)
roseoflavin(1−) (CHEBI:136521) is conjugate base of roseoflavin (CHEBI:72346)
IUPAC Name 
1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol
Synonyms  Source
RoseoflavineChemIDplus
8-demethyl-8-(dimethylamino)riboflavinChemIDplus
Manual XrefsDatabases
RS3PDBeChem
WO2010019208Patent
DE102009056597Patent
Registry NumbersSources
Reaxys:1232122Reaxys
CAS:51093-55-1ChemIDplus
Citations