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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:8798 - 4a,5-dihydroriboflavin
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ChEBI Name
4a,5-dihydroriboflavin
ChEBI ID
CHEBI:8798
Definition
Riboflavin in which the double bond between positions 4a and 5 has been reduced to a single bond.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C17H22N4O6
Net Charge
0
Average Mass
378.37980
Monoisotopic Mass
378.15393
InChI
InChI=1S/C17H22N4O6/c1-
7-
3-
9-
10(4-
8(7)
2)
21(5-
11(23)
14(25)
12(24)
6-
22)
15-
13(18-
9)
16(26)
20-
17(27)
19-
15/h3-
4,11-
14,18,22-
25H,5-
6H2,1-
2H3,(H,20,26,27)
/t11-
,12+,13?,14-
/m0/s1
InChIKey
UTKDOUCGQVLJIN-PIGZVRMJSA-N
SMILES
Cc1cc2NC3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
ChEBI Ontology
Outgoing
4a,5-dihydroriboflavin (
CHEBI:8798
)
is a
dihydroriboflavins (
CHEBI:15031
)
4a,5-dihydroriboflavin (
CHEBI:8798
)
is tautomer of
1,5-dihydroriboflavin (
CHEBI:17607
)
Incoming
1,5-dihydroriboflavin (
CHEBI:17607
)
is tautomer of
4a,5-dihydroriboflavin (
CHEBI:8798
)
IUPAC Name
1-
deoxy-
1-
{7,8-
dimethyl-
2,4-
dioxo-
3,4,4a,5-
tetrahydrobenzo[
g
]pteridin-
10(2
H
)-
yl}-
D
-
ribitol
Synonyms
Sources
4a,5-dihydroriboflavine
ChemIDplus
7,8-dimethyl-10-(
D
-
ribo
-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine
ChemIDplus
7,8-
dimethyl-
10-
(
D
-
ribo
-
2,3,4,5-
tetrahydroxypentyl)-
5,10-
dihydrobenzo[
g
]pteridine-
2,4(3
H
,4a
H
)-
dione
IUPAC
Registry Number
Type
Source
101652-10-2
CAS Registry Number
ChemIDplus
Last Modified
20 May 2010