CHEBI:72346 - roseoflavin

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ChEBI Name roseoflavin
ChEBI ID CHEBI:72346
Definition A benzopteridine that is riboflavin in which the methyl group at position 8 is substituted by a dimethylamino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H23N5O6
Net Charge 0
Average Mass 405.40510
Monoisotopic Mass 405.16483
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
SMILES CN(C)c1cc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3nc(=O)[nH]c(=O)c3nc2cc1C
Metabolite of Species Details
Bacillus subtilis (NCBI:txid1423) See: PubMed
Streptomyces davawensis (NCBI:txid348043) See: PubMed
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
8-demethyl-8-(dimethylamino)riboflavin ChemIDplus
Roseoflavine ChemIDplus
Manual Xrefs Databases
DE102009056597 Patent
RS3 PDBeChem
WO2010019208 Patent
View more database links
Registry Numbers Types Sources
1232122 Reaxys Registry Number Reaxys
51093-55-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11112846 PubMed citation Europe PMC
16592946 PubMed citation Europe PMC
18156273 PubMed citation Europe PMC
19246992 PubMed citation Europe PMC
19333008 PubMed citation Europe PMC
21593602 PubMed citation Europe PMC
21750792 PubMed citation Europe PMC
21911488 PubMed citation Europe PMC
21924249 PubMed citation Europe PMC
22740651 PubMed citation Europe PMC
23043000 PubMed citation Europe PMC
23116394 PubMed citation Europe PMC
428541 PubMed citation Europe PMC
479119 PubMed citation Europe PMC
7374471 PubMed citation Europe PMC
Last Modified
06 June 2017