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ChEBI
> Main
CHEBI:72346 - roseoflavin
Main
ChEBI Ontology
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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.
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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(2
H
)-
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
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