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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:51885 - BODIPY 630/650-X
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ChEBI Ontology
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ChEBI Name
BODIPY 630/650-X
ChEBI ID
CHEBI:51885
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C33H31BF2N4O6S
Net Charge
0
Average Mass
660.49641
Monoisotopic Mass
660.20254
InChI
InChI=1S/C33H31BF2N4O6S/c35-
34(36)
38-
24(11-
12-
25(38)
21-
26-
13-
16-
28(39(26)
34)
29-
5-
4-
20-
47-
29)
10-
7-
23-
8-
14-
27(15-
9-
23)
45-
22-
30(41)
37-
19-
3-
1-
2-
6-
33(44)
46-
40-
31(42)
17-
18-
32(40)
43/h4-
5,7-
16,20-
21H,1-
3,6,17-
19,22H2,(H,37,41)
InChIKey
TZBGLTNFAMQEEZ-UHFFFAOYSA-N
SMILES
[H]C(=C([H])C1=[N+]2C(C=C1)=Cc1ccc(-c3cccs3)n1[B-]2(F)F)c1ccc(OCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O)cc1
Roles Classification
Application
(s):
fluorochrome
A fluorescent dye used to stain biological specimens.
dye
(via
BODIPY dye
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
BODIPY 630/650-X (
CHEBI:51885
)
has functional parent
4,4-difluoro-4-bora-3a,4a-diaza-
s
-indacene (
CHEBI:51107
)
BODIPY 630/650-X (
CHEBI:51885
)
has role
fluorochrome (
CHEBI:51217
)
BODIPY 630/650-X (
CHEBI:51885
)
is a
BODIPY dye (
CHEBI:51123
)
BODIPY 630/650-X (
CHEBI:51885
)
is a
pyrrolidinone (
CHEBI:38275
)
IUPAC Name
(
N
-
{6-
[(2,5-
dioxopyrrolidin-
1-
yl)oxy]-
6-
oxohexyl}-
2-
{4-
[2-
(2-
{[5-
(thiophen-
2-
yl)-
1
H
-
pyrrol-
2-
yl-
κ
N
]methylene}-
2
H
-
pyrrol-
5-
yl-
κ
N
)ethenyl]phenoxy}acetamidato)(difluoro)boron
Synonym
Source
6-
(((4,4-
difluoro-
5-
(2-
thienyl)-
4-
bora-
3a,4a-
diaza-
s
-
indacene-
3-
yl)styryloxy)acetyl)aminohexanoic acid
ChEBI
Last Modified
03 July 2009