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> Main
CHEBI:137336 - 8-amino-8-demethylriboflavin
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ChEBI Name
8-amino-8-demethylriboflavin
ChEBI ID
CHEBI:137336
Definition
A benzopteridine that is riboflavin in which the methyl group at position 8 has been replaced by an amino group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C16H19N5O6
Net Charge
0
Average Mass
377.353
Monoisotopic Mass
377.13353
InChI
InChI=1S/C16H19N5O6/c1-
6-
2-
8-
9(3-
7(6)
17)
21(4-
10(23)
13(25)
11(24)
5-
22)
14-
12(18-
8)
15(26)
20-
16(27)
19-
14/h2-
3,10-
11,13,22-
25H,4-
5,17H2,1H3,(H,20,26,27)
/t10-
,11+,13-
/m0/s1
InChIKey
BZHBNLOEUZEUOA-LOWVWBTDSA-N
SMILES
C(N1C=2C(=NC3=C1C=C(C(=C3)C)N)C(NC(N2)=O)=O)[C@H](O)[C@H](O)[C@H](O)CO
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
8-amino-8-demethylriboflavin (
CHEBI:137336
)
has functional parent
riboflavin (
CHEBI:17015
)
8-amino-8-demethylriboflavin (
CHEBI:137336
)
is a
aromatic amine (
CHEBI:33860
)
8-amino-8-demethylriboflavin (
CHEBI:137336
)
is a
benzopteridine (
CHEBI:38925
)
8-amino-8-demethylriboflavin (
CHEBI:137336
)
is a
primary amino compound (
CHEBI:50994
)
8-amino-8-demethylriboflavin (
CHEBI:137336
)
is a
tetrol (
CHEBI:33573
)
8-amino-8-demethylriboflavin (
CHEBI:137336
)
is conjugate acid of
8-amino-8-demethylriboflavin(1−) (
CHEBI:136518
)
Incoming
8-amino-8-demethylriboflavin 5'-phosphate (
CHEBI:140135
)
has functional parent
8-amino-8-demethylriboflavin (
CHEBI:137336
)
8-amino-8-demethylriboflavin(1−) (
CHEBI:136518
)
is conjugate base of
8-amino-8-demethylriboflavin (
CHEBI:137336
)
IUPAC Name
1-
(8-
amino-
7-
methyl-
2,4-
dioxo-
3,4-
dihydrobenzo[
g
]pteridin-
10(2
H
)-
yl)-
1-
deoxy-
D
-
ribitol
Synonym
Source
8-Amino-8-demethyl-D-riboflavin
ChemIDplus
Manual Xref
Database
CPD-19835
MetaCyc
View more database links
Registry Numbers
Types
Sources
5178-05-2
CAS Registry Number
ChemIDplus
587780
Reaxys Registry Number
Reaxys
Citations
Types
Sources
101644
PubMed citation
Europe PMC
21911488
PubMed citation
Europe PMC
26913589
PubMed citation
Europe PMC
7358636
PubMed citation
Europe PMC
Last Modified
13 February 2018